2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide

C9H14N4O2 — CID 60975273

IUPAC2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESCC(=O)NC(C)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H14N4O2/c1-6(12-7(2)14)9(15)10-5-8-3-4-11-13-8/h3-4,6H,5H2,1-2H3,(H,10,15)(H,11,13)(H,12,14)
InChIKeyWRSBJBQGBRPWHI-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.45
Rot. Bonds4

About 2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide

2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide (PubChem CID 60975273) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide
PubChem CID60975273
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide
SMILESCC(=O)NC(C)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H14N4O2/c1-6(12-7(2)14)9(15)10-5-8-3-4-11-13-8/h3-4,6H,5H2,1-2H3,(H,10,15)(H,11,13)(H,12,14)
InChIKeyWRSBJBQGBRPWHI-UHFFFAOYSA-N
XLogP-0.45
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 62728534
2-bromo-3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285500
2-acetamido-N-(1H-pyrazol-5-yl)propanamide
CID 61393558
2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 47286046
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 94032780
3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 114875503
1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95152555
2-amino-3-phenyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 61285504
N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide
CID 43662596
2-amino-4-methylsulfonyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61284119
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
(2S)-2-acetamido-N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]propanamide
CID 167024593

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide?
The IUPAC name of 2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide (CID 60975273) is 2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide is CC(=O)NC(C)C(=O)NCc1ccn[nH]1.
What is the InChIKey of 2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide?
The InChIKey is WRSBJBQGBRPWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6(12-7(2)14)9(15)10-5-8-3-4-11-13-8/h3-4,6H,5H2,1-2H3,(H,10,15)(H,11,13)(H,12,14).
What are the key properties of 2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide?
2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide has a molecular weight of 210.24 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 60975273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).