1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide

C18H19N5O — CID 138037540

IUPAC1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(-c2ccccc2CNC(=O)c2cnn(C3CC3)c2)cn1
InChIInChI=1S/C18H19N5O/c1-22-11-14(9-20-22)17-5-3-2-4-13(17)8-19-18(24)15-10-21-23(12-15)16-6-7-16/h2-5,9-12,16H,6-8H2,1H3,(H,19,24)
InChIKeyNDRWXUVJADPXPJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.55
Rot. Bonds5

About 1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide

1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 138037540) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID138037540
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(-c2ccccc2CNC(=O)c2cnn(C3CC3)c2)cn1
InChIInChI=1S/C18H19N5O/c1-22-11-14(9-20-22)17-5-3-2-4-13(17)8-19-18(24)15-10-21-23(12-15)16-6-7-16/h2-5,9-12,16H,6-8H2,1H3,(H,19,24)
InChIKeyNDRWXUVJADPXPJ-UHFFFAOYSA-N
XLogP2.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide (CID 138037540) is 1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide is Cn1cc(-c2ccccc2CNC(=O)c2cnn(C3CC3)c2)cn1.
What is the InChIKey of 1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is NDRWXUVJADPXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22-11-14(9-20-22)17-5-3-2-4-13(17)8-19-18(24)15-10-21-23(12-15)16-6-7-16/h2-5,9-12,16H,6-8H2,1H3,(H,19,24).
What are the key properties of 1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide?
1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 138037540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).