3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid

C14H24N4O3 — CID 62852861

IUPAC3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C14H24N4O3/c1-4-18(9-10(2)13(19)20)14(21)15-7-5-6-12-8-16-17-11(12)3/h8,10H,4-7,9H2,1-3H3,(H,15,21)(H,16,17)(H,19,20)
InChIKeyBQLAPNUDELGRRR-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.40
Rot. Bonds8

About 3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62852861) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID62852861
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NCCCc1cn[nH]c1C
InChIInChI=1S/C14H24N4O3/c1-4-18(9-10(2)13(19)20)14(21)15-7-5-6-12-8-16-17-11(12)3/h8,10H,4-7,9H2,1-3H3,(H,15,21)(H,16,17)(H,19,20)
InChIKeyBQLAPNUDELGRRR-UHFFFAOYSA-N
XLogP1.40
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]propanoic acid
CID 62039653
2-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl-prop-2-ynylamino]acetic acid
CID 79283538
(2R)-3-hydroxy-2-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 80756757
3-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62854086
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
3-[ethyl(3-methylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 62852278
3-amino-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-4-oxobutanoic acid
CID 64894782
2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62038992
2-cyano-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62040285
3-[ethyl(5-methylsulfanylpentylcarbamoyl)amino]-2-methylpropanoic acid
CID 114128529
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
3-[ethyl-[2-(3-methylphenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62851250

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid (CID 62852861) is 3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)NCCCc1cn[nH]c1C.
What is the InChIKey of 3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is BQLAPNUDELGRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-18(9-10(2)13(19)20)14(21)15-7-5-6-12-8-16-17-11(12)3/h8,10H,4-7,9H2,1-3H3,(H,15,21)(H,16,17)(H,19,20).
What are the key properties of 3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62852861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).