N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide

C18H14N4O — CID 29258148

IUPACN-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H14N4O/c23-18(21-17-11-19-16-9-5-4-8-15(16)17)13-10-20-22(12-13)14-6-2-1-3-7-14/h1-12,19H,(H,21,23)
InChIKeyHGMKQFRTWTUKLC-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.61
Rot. Bonds3

About N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide

N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 29258148) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID29258148
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC NameN-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2ccccc12)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H14N4O/c23-18(21-17-11-19-16-9-5-4-8-15(16)17)13-10-20-22(12-13)14-6-2-1-3-7-14/h1-12,19H,(H,21,23)
InChIKeyHGMKQFRTWTUKLC-UHFFFAOYSA-N
XLogP3.61
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-(1H-indol-3-yl)pyrazole-4-carboxamide
CID 154652767
N-(2-aminophenyl)-1-phenylpyrazole-4-carboxamide
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1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
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N-(1H-indol-3-yl)-2-phenylpyrimidine-5-carboxamide
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1-phenyl-N-(1H-pyrazol-4-yl)pyrazole-4-carboxamide
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N-(5-chloro-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 95235133
3-(1-phenylpyrazol-4-yl)-1H-indole
CID 70687777
N-(4-bromo-2-fluorophenyl)-1-phenylpyrazole-4-carboxamide
CID 50772677
1H-indol-3-ylcarbamic acid
CID 66672709
N-(6-chloro-2-pyridinyl)-1-phenylpyrazole-4-carboxamide
CID 115683266
N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 78851836
N-[2-(1H-indol-3-yl)ethyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55702555

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide (CID 29258148) is N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide is O=C(Nc1c[nH]c2ccccc12)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is HGMKQFRTWTUKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-18(21-17-11-19-16-9-5-4-8-15(16)17)13-10-20-22(12-13)14-6-2-1-3-7-14/h1-12,19H,(H,21,23).
What are the key properties of N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide?
N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 29258148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).