2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride

C15H19ClN4O — CID 119708752

IUPAC2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C15H18N4O.ClH/c20-15(11-16-10-12-5-6-12)18-13-3-1-4-14(9-13)19-8-2-7-17-19;/h1-4,7-9,12,16H,5-6,10-11H2,(H,18,20);1H
InChIKeyGXGMTQKAOMIZGU-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.23
Rot. Bonds6

About 2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride

2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride (PubChem CID 119708752) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
PubChem CID119708752
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CC1)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C15H18N4O.ClH/c20-15(11-16-10-12-5-6-12)18-13-3-1-4-14(9-13)19-8-2-7-17-19;/h1-4,7-9,12,16H,5-6,10-11H2,(H,18,20);1H
InChIKeyGXGMTQKAOMIZGU-UHFFFAOYSA-N
XLogP2.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 119708754
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
N-cyclopentyl-N'-(3-pyrazol-1-ylphenyl)butanediamide
CID 131950327
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
N-(3-pyrazol-1-ylphenyl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 131903388
2-(1-cyclohexylpiperidin-4-yl)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 92633708
3-(ethylamino)-N-(3-pyrazol-1-ylphenyl)propanamide
CID 62832323
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
3-[(2S)-5-oxopyrrolidin-2-yl]-N-(3-pyrazol-1-ylphenyl)propanamide
CID 51600172
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride (CID 119708752) is 2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride is Cl.O=C(CNCC1CC1)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride?
The InChIKey is GXGMTQKAOMIZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c20-15(11-16-10-12-5-6-12)18-13-3-1-4-14(9-13)19-8-2-7-17-19;/h1-4,7-9,12,16H,5-6,10-11H2,(H,18,20);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119708752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).