N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide

C18H22F2N4O2 — CID 118694726

IUPACN-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc3c(c2)OCC(N)C3)nn1CC(F)F
InChIInChI=1S/C18H22F2N4O2/c1-2-3-14-8-15(23-24(14)9-17(19)20)18(25)22-13-5-4-11-6-12(21)10-26-16(11)7-13/h4-5,7-8,12,17H,2-3,6,9-10,21H2,1H3,(H,22,25)
InChIKeyMFDMZDJAISZKRR-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.62
Rot. Bonds6

About N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide

N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide (PubChem CID 118694726) has the molecular formula C18H22F2N4O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide
PubChem CID118694726
Molecular FormulaC18H22F2N4O2
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC NameN-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc3c(c2)OCC(N)C3)nn1CC(F)F
InChIInChI=1S/C18H22F2N4O2/c1-2-3-14-8-15(23-24(14)9-17(19)20)18(25)22-13-5-4-11-6-12(21)10-26-16(11)7-13/h4-5,7-8,12,17H,2-3,6,9-10,21H2,1H3,(H,22,25)
InChIKeyMFDMZDJAISZKRR-UHFFFAOYSA-N
XLogP2.62
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide (CID 118694726) is N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2ccc3c(c2)OCC(N)C3)nn1CC(F)F.
What is the InChIKey of N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide?
The InChIKey is MFDMZDJAISZKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O2/c1-2-3-14-8-15(23-24(14)9-17(19)20)18(25)22-13-5-4-11-6-12(21)10-26-16(11)7-13/h4-5,7-8,12,17H,2-3,6,9-10,21H2,1H3,(H,22,25).
What are the key properties of N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide?
N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-1-(2,2-difluoroethyl)-5-propylpyrazole-3-carboxamide is sourced from PubChem (CID 118694726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).