N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

C19H27F2N5O — CID 52536119

IUPACN-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N[C@@H]1CCCc2c1cnn2C(C)(C)C
InChIInChI=1S/C19H27F2N5O/c1-11-13(12(2)25(24-11)18(20)21)9-17(27)23-15-7-6-8-16-14(15)10-22-26(16)19(3,4)5/h10,15,18H,6-9H2,1-5H3,(H,23,27)/t15-/m1/s1
InChIKeyPRZGJJMNKGUTRM-OAHLLOKOSA-N
MW379.46 g/mol
LogP3.58
Rot. Bonds4

About N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 52536119) has the molecular formula C19H27F2N5O and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID52536119
Molecular FormulaC19H27F2N5O
Molecular Weight379.46 g/mol
Exact Mass379.22
IUPAC NameN-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)N[C@@H]1CCCc2c1cnn2C(C)(C)C
InChIInChI=1S/C19H27F2N5O/c1-11-13(12(2)25(24-11)18(20)21)9-17(27)23-15-7-6-8-16-14(15)10-22-26(16)19(3,4)5/h10,15,18H,6-9H2,1-5H3,(H,23,27)/t15-/m1/s1
InChIKeyPRZGJJMNKGUTRM-OAHLLOKOSA-N
XLogP3.58
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 52536119) is N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H]1CCCc2c1cnn2C(C)(C)C.
What is the InChIKey of N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is PRZGJJMNKGUTRM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27F2N5O/c1-11-13(12(2)25(24-11)18(20)21)9-17(27)23-15-7-6-8-16-14(15)10-22-26(16)19(3,4)5/h10,15,18H,6-9H2,1-5H3,(H,23,27)/t15-/m1/s1.
What are the key properties of N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 52536119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).