N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide

C14H13N5O — CID 60934045

IUPACN-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)c1cn[nH]c1
InChIInChI=1S/C14H13N5O/c20-14(12-8-15-16-9-12)18-13-4-2-11(3-5-13)10-19-7-1-6-17-19/h1-9H,10H2,(H,15,16)(H,18,20)
InChIKeyQUQBJPCVDVKGCT-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.91
Rot. Bonds4

About N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide

N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 60934045) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID60934045
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)c1cn[nH]c1
InChIInChI=1S/C14H13N5O/c20-14(12-8-15-16-9-12)18-13-4-2-11(3-5-13)10-19-7-1-6-17-19/h1-9H,10H2,(H,15,16)(H,18,20)
InChIKeyQUQBJPCVDVKGCT-UHFFFAOYSA-N
XLogP1.91
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
N-[4-(2-hydroxyethoxy)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111116122
N-[4-(1,3-oxazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 78890208
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55970703
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846
2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide
CID 39170149
N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 60786492
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863
1-propan-2-yl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 47442545

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide (CID 60934045) is N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide is O=C(Nc1ccc(Cn2cccn2)cc1)c1cn[nH]c1.
What is the InChIKey of N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QUQBJPCVDVKGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c20-14(12-8-15-16-9-12)18-13-4-2-11(3-5-13)10-19-7-1-6-17-19/h1-9H,10H2,(H,15,16)(H,18,20).
What are the key properties of N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide?
N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60934045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).