N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide

C19H21F2N5O — CID 139431518

IUPACN-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCc1nn(C)cc1-c1ccc2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1
InChIInChI=1S/C19H21F2N5O/c1-11-15(10-26(2)25-11)12-3-4-16-14(9-12)17(24-23-16)18(27)22-13-5-7-19(20,21)8-6-13/h3-4,9-10,13H,5-8H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyLCZBMYPKXJDQNZ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.58
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431518) has the molecular formula C19H21F2N5O and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431518
Molecular FormulaC19H21F2N5O
Molecular Weight373.41 g/mol
Exact Mass373.17
IUPAC NameN-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCc1nn(C)cc1-c1ccc2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1
InChIInChI=1S/C19H21F2N5O/c1-11-15(10-26(2)25-11)12-3-4-16-14(9-12)17(24-23-16)18(27)22-13-5-7-19(20,21)8-6-13/h3-4,9-10,13H,5-8H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyLCZBMYPKXJDQNZ-UHFFFAOYSA-N
XLogP3.58
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431518) is N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cc1nn(C)cc1-c1ccc2[nH]nc(C(=O)NC3CCC(F)(F)CC3)c2c1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is LCZBMYPKXJDQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O/c1-11-15(10-26(2)25-11)12-3-4-16-14(9-12)17(24-23-16)18(27)22-13-5-7-19(20,21)8-6-13/h3-4,9-10,13H,5-8H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-5-(1,3-dimethylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).