2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide

C16H18N6O — CID 71913696

IUPAC2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(NCc2ccn[nH]2)c1)n1cccn1
InChIInChI=1S/C16H18N6O/c1-12(22-9-3-7-19-22)16(23)20-14-5-2-4-13(10-14)17-11-15-6-8-18-21-15/h2-10,12,17H,11H2,1H3,(H,18,21)(H,20,23)
InChIKeyLYVZVUWKZBVCJN-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.42
Rot. Bonds6

About 2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide

2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide (PubChem CID 71913696) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
PubChem CID71913696
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(NCc2ccn[nH]2)c1)n1cccn1
InChIInChI=1S/C16H18N6O/c1-12(22-9-3-7-19-22)16(23)20-14-5-2-4-13(10-14)17-11-15-6-8-18-21-15/h2-10,12,17H,11H2,1H3,(H,18,21)(H,20,23)
InChIKeyLYVZVUWKZBVCJN-UHFFFAOYSA-N
XLogP2.42
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
CID 43662428
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide
CID 60529931
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
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N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845
N-[3-[(2-phenoxyacetyl)amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 42958650
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285
2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 61067736
7-amino-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]heptanamide;hydrochloride
CID 119717826
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide?
The IUPAC name of 2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide (CID 71913696) is 2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide?
The canonical SMILES for 2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide is CC(C(=O)Nc1cccc(NCc2ccn[nH]2)c1)n1cccn1.
What is the InChIKey of 2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide?
The InChIKey is LYVZVUWKZBVCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-12(22-9-3-7-19-22)16(23)20-14-5-2-4-13(10-14)17-11-15-6-8-18-21-15/h2-10,12,17H,11H2,1H3,(H,18,21)(H,20,23).
What are the key properties of 2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide?
2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide has a molecular weight of 310.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide is sourced from PubChem (CID 71913696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).