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

C19H21F2N5O — CID 139431460

IUPACN-(4,4-difluorocyclohexyl)-5-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCCn1cc(-c2ccc3[nH]nc(C(=O)NC4CCC(F)(F)CC4)c3c2)cn1
InChIInChI=1S/C19H21F2N5O/c1-2-26-11-13(10-22-26)12-3-4-16-15(9-12)17(25-24-16)18(27)23-14-5-7-19(20,21)8-6-14/h3-4,9-11,14H,2,5-8H2,1H3,(H,23,27)(H,24,25)
InChIKeyGBRIHBSMQCVWRT-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.75
Rot. Bonds4

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

N-(4,4-difluorocyclohexyl)-5-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431460) has the molecular formula C19H21F2N5O and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-5-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431460
Molecular FormulaC19H21F2N5O
Molecular Weight373.41 g/mol
Exact Mass373.17
IUPAC NameN-(4,4-difluorocyclohexyl)-5-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCCn1cc(-c2ccc3[nH]nc(C(=O)NC4CCC(F)(F)CC4)c3c2)cn1
InChIInChI=1S/C19H21F2N5O/c1-2-26-11-13(10-22-26)12-3-4-16-15(9-12)17(25-24-16)18(27)23-14-5-7-19(20,21)8-6-14/h3-4,9-11,14H,2,5-8H2,1H3,(H,23,27)(H,24,25)
InChIKeyGBRIHBSMQCVWRT-UHFFFAOYSA-N
XLogP3.75
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.75
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-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-5-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431460) is N-(4,4-difluorocyclohexyl)-5-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide is CCn1cc(-c2ccc3[nH]nc(C(=O)NC4CCC(F)(F)CC4)c3c2)cn1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is GBRIHBSMQCVWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O/c1-2-26-11-13(10-22-26)12-3-4-16-15(9-12)17(25-24-16)18(27)23-14-5-7-19(20,21)8-6-14/h3-4,9-11,14H,2,5-8H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-(4,4-difluorocyclohexyl)-5-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-(4,4-difluorocyclohexyl)-5-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.75, 4 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-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).