2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide

C16H21N5O2 — CID 75507073

IUPAC2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H21N5O2/c1-3-17-16(23)20-15(22)12(2)19-14-9-18-21(11-14)10-13-7-5-4-6-8-13/h4-9,11-12,19H,3,10H2,1-2H3,(H2,17,20,22,23)
InChIKeyBAHHTQLLFSRXIC-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.58
Rot. Bonds6

About 2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide

2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide (PubChem CID 75507073) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide
PubChem CID75507073
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H21N5O2/c1-3-17-16(23)20-15(22)12(2)19-14-9-18-21(11-14)10-13-7-5-4-6-8-13/h4-9,11-12,19H,3,10H2,1-2H3,(H2,17,20,22,23)
InChIKeyBAHHTQLLFSRXIC-UHFFFAOYSA-N
XLogP1.58
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-ethylpyrazol-4-yl)amino]-N-(prop-2-enylcarbamoyl)propanamide
CID 86791829
3-[(1-benzylpyrazol-4-yl)amino]-2-methylbutan-2-ol
CID 65337518
N-(1-benzylpyrazol-4-yl)-2-bromo-3-methylbutanamide
CID 60934374
2-[(1-benzylpyrazol-4-yl)amino]-2-phenylacetamide
CID 75507076
1-benzyl-N-[1-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-amine
CID 106757614
N-(1-benzylpyrazol-4-yl)-2-(propan-2-ylamino)acetamide
CID 60945148
N-(1-benzylpyrazol-4-yl)-2-(butan-2-ylamino)acetamide
CID 60945282
1-[(1-benzylpyrazol-4-yl)amino]propan-2-ol
CID 82539768
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide
CID 65229818
1-(1-benzylpyrazol-4-yl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111521189
N-(ethylcarbamoyl)-2-[4-[2-(methylamino)-2-oxoethyl]anilino]propanamide
CID 86924151

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide (CID 75507073) is 2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide?
The InChIKey is BAHHTQLLFSRXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-17-16(23)20-15(22)12(2)19-14-9-18-21(11-14)10-13-7-5-4-6-8-13/h4-9,11-12,19H,3,10H2,1-2H3,(H2,17,20,22,23).
What are the key properties of 2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide?
2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide has a molecular weight of 315.38 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrazol-4-yl)amino]-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 75507073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).