2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid

C10H15N3O3 — CID 43630219

IUPAC2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-4-8(10(15)16)12-9(14)7-5-11-13(2)6-7/h5-6,8H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyVOUJHEDLRBPMNB-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.40
Rot. Bonds5

About 2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid

2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid (PubChem CID 43630219) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
PubChem CID43630219
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)c1cnn(C)c1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-4-8(10(15)16)12-9(14)7-5-11-13(2)6-7/h5-6,8H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyVOUJHEDLRBPMNB-UHFFFAOYSA-N
XLogP0.40
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28742679
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
(2R)-3-(1H-imidazol-5-yl)-2-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 28742442
(2S)-3-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 28742450
(2S)-3,3-dimethyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 61143521
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide
CID 86915318
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366
N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 114299684
2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 43630361
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid (CID 43630219) is 2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid is CCCC(NC(=O)c1cnn(C)c1)C(=O)O.
What is the InChIKey of 2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is VOUJHEDLRBPMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-4-8(10(15)16)12-9(14)7-5-11-13(2)6-7/h5-6,8H,3-4H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid?
2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43630219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).