N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide

C36H43BrF2N8O2 — CID 159446071

IUPACN-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc3c(c2)CCC(N)C3)nn1CC(F)F.NC1CCc2cc(NC(=O)c3n[nH]c(C4CC4)c3Br)ccc2C1
InChIInChI=1S/C19H24F2N4O.C17H19BrN4O/c1-2-3-16-10-17(24-25(16)11-18(20)21)19(26)23-15-7-5-12-8-14(22)6-4-13(12)9-15;18-14-15(9-1-2-9)21-22-16(14)17(23)20-13-6-4-10-7-12(19)5-3-11(10)8-13/h5,7,9-10,14,18H,2-4,6,8,11,22H2,1H3,(H,23,26);4,6,8-9,12H,1-3,5,7,19H2,(H,20,23)(H,21,22)
InChIKeyLSTYEFXIMCHYTQ-UHFFFAOYSA-N
MW737.69 g/mol
LogP6.29
Rot. Bonds9

About N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide

N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide (PubChem CID 159446071) has the molecular formula C36H43BrF2N8O2 and a molecular weight of 737.69 g/mol. Its IUPAC name is N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide
PubChem CID159446071
Molecular FormulaC36H43BrF2N8O2
Molecular Weight737.69 g/mol
Exact Mass736.27
IUPAC NameN-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc3c(c2)CCC(N)C3)nn1CC(F)F.NC1CCc2cc(NC(=O)c3n[nH]c(C4CC4)c3Br)ccc2C1
InChIInChI=1S/C19H24F2N4O.C17H19BrN4O/c1-2-3-16-10-17(24-25(16)11-18(20)21)19(26)23-15-7-5-12-8-14(22)6-4-13(12)9-15;18-14-15(9-1-2-9)21-22-16(14)17(23)20-13-6-4-10-7-12(19)5-3-11(10)8-13/h5,7,9-10,14,18H,2-4,6,8,11,22H2,1H3,(H,23,26);4,6,8-9,12H,1-3,5,7,19H2,(H,20,23)(H,21,22)
InChIKeyLSTYEFXIMCHYTQ-UHFFFAOYSA-N
XLogP6.29
TPSA156.74 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.69
LogP ≤ 56.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide?
The IUPAC name of N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide (CID 159446071) is N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide?
The canonical SMILES for N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2ccc3c(c2)CCC(N)C3)nn1CC(F)F.NC1CCc2cc(NC(=O)c3n[nH]c(C4CC4)c3Br)ccc2C1.
What is the InChIKey of N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide?
The InChIKey is LSTYEFXIMCHYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O.C17H19BrN4O/c1-2-3-16-10-17(24-25(16)11-18(20)21)19(26)23-15-7-5-12-8-14(22)6-4-13(12)9-15;18-14-15(9-1-2-9)21-22-16(14)17(23)20-13-6-4-10-7-12(19)5-3-11(10)8-13/h5,7,9-10,14,18H,2-4,6,8,11,22H2,1H3,(H,23,26);4,6,8-9,12H,1-3,5,7,19H2,(H,20,23)(H,21,22).
What are the key properties of N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide?
N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide has a molecular weight of 737.69 g/mol, XLogP of 6.29, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-4-bromo-5-cyclopropyl-1H-pyrazole-3-carboxamide;N-(6-amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide is sourced from PubChem (CID 159446071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).