3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide

C15H14N4O — CID 110486697

IUPAC3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide
SMILESO=C(NCc1ccc[nH]1)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C15H14N4O/c20-15(17-10-14-5-2-6-16-14)12-4-1-3-11(7-12)13-8-18-19-9-13/h1-9,16H,10H2,(H,17,20)(H,18,19)
InChIKeyHUNLKQLYMYHJIT-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.33
Rot. Bonds4

About 3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide

3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide (PubChem CID 110486697) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide
PubChem CID110486697
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide
SMILESO=C(NCc1ccc[nH]1)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C15H14N4O/c20-15(17-10-14-5-2-6-16-14)12-4-1-3-11(7-12)13-8-18-19-9-13/h1-9,16H,10H2,(H,17,20)(H,18,19)
InChIKeyHUNLKQLYMYHJIT-UHFFFAOYSA-N
XLogP2.33
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-prop-2-enyl-3-(1H-pyrazol-4-yl)benzamide
CID 110486658
N-(oxolan-2-ylmethyl)-3-(1H-pyrazol-4-yl)benzamide
CID 110486700
1-[3-(1H-pyrazol-4-yl)phenyl]ethanone
CID 121358272
2,2-dimethyl-1-[3-(1H-pyrazol-4-yl)phenyl]propan-1-one
CID 121354891
3-(1H-pyrazol-4-yl)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 74249008
3,4-difluoro-N-(1H-pyrrol-2-ylmethyl)benzamide
CID 110445664
N-(3-cyclohexyloxypropyl)-3-(1H-pyrazol-4-yl)benzamide
CID 74240489
3-[[[3-(1H-pyrazol-4-yl)benzoyl]amino]methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 88560507
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
CID 91773131
N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide
CID 66854523
N,N'-bis(1H-pyrrol-2-ylmethyl)oxamide
CID 126500406
N-(1H-pyrrol-2-ylmethyl)-1H-indazole-4-carboxamide
CID 110468689

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide?
The IUPAC name of 3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide (CID 110486697) is 3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide?
The canonical SMILES for 3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide is O=C(NCc1ccc[nH]1)c1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide?
The InChIKey is HUNLKQLYMYHJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15(17-10-14-5-2-6-16-14)12-4-1-3-11(7-12)13-8-18-19-9-13/h1-9,16H,10H2,(H,17,20)(H,18,19).
What are the key properties of 3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide?
3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide has a molecular weight of 266.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)-N-(1H-pyrrol-2-ylmethyl)benzamide is sourced from PubChem (CID 110486697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).