N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide

C12H14N4O — CID 66386649

IUPACN-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cn[nH]c1
InChIInChI=1S/C12H14N4O/c1-9(17)16-12-5-3-2-4-10(12)6-13-11-7-14-15-8-11/h2-5,7-8,13H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyTVKNVPRSZXEYSA-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.98
Rot. Bonds4

About N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide

N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide (PubChem CID 66386649) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide
PubChem CID66386649
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cn[nH]c1
InChIInChI=1S/C12H14N4O/c1-9(17)16-12-5-3-2-4-10(12)6-13-11-7-14-15-8-11/h2-5,7-8,13H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyTVKNVPRSZXEYSA-UHFFFAOYSA-N
XLogP1.98
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide
CID 66418036
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[2-[(1H-indazol-4-ylamino)methyl]phenyl]acetamide
CID 66418442
N-[2-[(3-hydroxyanilino)methyl]phenyl]acetamide
CID 66385038
2-(2-methylphenyl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429565
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
CID 107679126
N-[2-[(3,4-difluoroanilino)methyl]phenyl]acetamide
CID 66385222
N-(2-ethylphenyl)-1H-pyrazol-4-amine
CID 125449698
N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide
CID 104938218
N-[2-[(3-ethylanilino)methyl]phenyl]acetamide
CID 66386234
N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide
CID 75517137

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide (CID 66386649) is N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNc1cn[nH]c1.
What is the InChIKey of N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide?
The InChIKey is TVKNVPRSZXEYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9(17)16-12-5-3-2-4-10(12)6-13-11-7-14-15-8-11/h2-5,7-8,13H,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide?
N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide has a molecular weight of 230.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1H-pyrazol-4-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 66386649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).