N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C19H21F2N5O — CID 139431389

IUPACN-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NCC4CCC(F)(F)CC4)c3c2)cn1
InChIInChI=1S/C19H21F2N5O/c1-26-11-14(10-23-26)13-2-3-16-15(8-13)17(25-24-16)18(27)22-9-12-4-6-19(20,21)7-5-12/h2-3,8,10-12H,4-7,9H2,1H3,(H,22,27)(H,24,25)
InChIKeyUCDKGMKTAFYICC-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.52
Rot. Bonds4

About N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431389) has the molecular formula C19H21F2N5O and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431389
Molecular FormulaC19H21F2N5O
Molecular Weight373.41 g/mol
Exact Mass373.17
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NCC4CCC(F)(F)CC4)c3c2)cn1
InChIInChI=1S/C19H21F2N5O/c1-26-11-14(10-23-26)13-2-3-16-15(8-13)17(25-24-16)18(27)22-9-12-4-6-19(20,21)7-5-12/h2-3,8,10-12H,4-7,9H2,1H3,(H,22,27)(H,24,25)
InChIKeyUCDKGMKTAFYICC-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431389) is N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is Cn1cc(-c2ccc3[nH]nc(C(=O)NCC4CCC(F)(F)CC4)c3c2)cn1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is UCDKGMKTAFYICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O/c1-26-11-14(10-23-26)13-2-3-16-15(8-13)17(25-24-16)18(27)22-9-12-4-6-19(20,21)7-5-12/h2-3,8,10-12H,4-7,9H2,1H3,(H,22,27)(H,24,25).
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
N-[(4,4-difluorocyclohexyl)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.52, 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)methyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).