4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid

C12H19N3O3 — CID 43210968

IUPAC4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)C(C)n1cccn1)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-8(2)7-10(12(17)18)14-11(16)9(3)15-6-4-5-13-15/h4-6,8-10H,7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyMJFSZUJTMQDRNC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.06
Rot. Bonds6

About 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid

4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid (PubChem CID 43210968) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid
PubChem CID43210968
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)C(C)n1cccn1)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-8(2)7-10(12(17)18)14-11(16)9(3)15-6-4-5-13-15/h4-6,8-10H,7H2,1-3H3,(H,14,16)(H,17,18)
InChIKeyMJFSZUJTMQDRNC-UHFFFAOYSA-N
XLogP1.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
L-N-Boc-3-Pyrazol-1-yl-alanine
CID 10264334
4-Methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 43353247
3-Methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 43356415
(2S,3S)-3-methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 61136679
(2S)-4-methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 61138033
(2S)-3-methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 61173440
(2R)-4-methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 78975781
3,3,3-Trifluoro-2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
CID 79796231
3,3,3-Trifluoro-2-methyl-2-(2-pyrazol-1-ylpropanoylamino)propanoic acid
CID 79796411
4-Methyl-3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 81971464
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-2-(1H-pyrazol-1-yl)propanamide
CID 119065740

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid (CID 43210968) is 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid is CC(C)CC(NC(=O)C(C)n1cccn1)C(=O)O.
What is the InChIKey of 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid?
The InChIKey is MJFSZUJTMQDRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)7-10(12(17)18)14-11(16)9(3)15-6-4-5-13-15/h4-6,8-10H,7H2,1-3H3,(H,14,16)(H,17,18).
What are the key properties of 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid?
4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-pyrazol-1-ylpropanoylamino)pentanoic acid is sourced from PubChem (CID 43210968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).