N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

C18H13F2N5O — CID 71259778

IUPACN-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2F)c1)c1n[nH]c2ccccc12
InChIInChI=1S/C18H13F2N5O/c19-12-6-5-11(15(20)7-12)9-25-10-13(8-21-25)22-18(26)17-14-3-1-2-4-16(14)23-24-17/h1-8,10H,9H2,(H,22,26)(H,23,24)
InChIKeyZKRCUGCAEURKCI-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.34
Rot. Bonds4

About N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide

N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 71259778) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
PubChem CID71259778
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC NameN-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2F)c1)c1n[nH]c2ccccc12
InChIInChI=1S/C18H13F2N5O/c19-12-6-5-11(15(20)7-12)9-25-10-13(8-21-25)22-18(26)17-14-3-1-2-4-16(14)23-24-17/h1-8,10H,9H2,(H,22,26)(H,23,24)
InChIKeyZKRCUGCAEURKCI-UHFFFAOYSA-N
XLogP3.34
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1H-indazole-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018614
N-[1-[[4-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259502
N-[1-[[3-(ethylaminomethyl)phenyl]methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide
CID 71259606
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
CID 71259814
4-chloro-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135454659
2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17088846
1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine
CID 175351355
2-(2-aminophenyl)-N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-2-iminoacetamide;molecular hydrogen
CID 144529831
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 60905133
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513661
2-fluoro-5-(1H-indazole-3-carbonylamino)benzoic acid
CID 170858296

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 71259778) is N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2F)c1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is ZKRCUGCAEURKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c19-12-6-5-11(15(20)7-12)9-25-10-13(8-21-25)22-18(26)17-14-3-1-2-4-16(14)23-24-17/h1-8,10H,9H2,(H,22,26)(H,23,24).
What are the key properties of N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 353.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71259778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).