2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid

C12H20N4O3 — CID 61209725

IUPAC2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
SMILESCCn1cc(NC(=O)NC(CC(C)C)C(=O)O)cn1
InChIInChI=1S/C12H20N4O3/c1-4-16-7-9(6-13-16)14-12(19)15-10(11(17)18)5-8(2)3/h6-8,10H,4-5H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyHSFCFXHBUYWAGE-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.52
Rot. Bonds6

About 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid

2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 61209725) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
PubChem CID61209725
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
SMILESCCn1cc(NC(=O)NC(CC(C)C)C(=O)O)cn1
InChIInChI=1S/C12H20N4O3/c1-4-16-7-9(6-13-16)14-12(19)15-10(11(17)18)5-8(2)3/h6-8,10H,4-5H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyHSFCFXHBUYWAGE-UHFFFAOYSA-N
XLogP1.52
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-4-methylpentanoic acid
CID 78976075
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81084939
(2R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 79009865
(2S,3R)-2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965883
1-ethyl-3-(1-ethylpyrazol-4-yl)urea
CID 115581870
2-[(1-ethylpyrazol-4-yl)amino]butanoic acid
CID 115352400
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
1-[(2S)-1-(diethylamino)propan-2-yl]-3-(1-ethylpyrazol-4-yl)urea
CID 94779080
1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475816
1-(1-ethylpyrazol-4-yl)-3-(1-pyridin-4-ylethyl)urea
CID 47200410
4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid
CID 61209823
(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
CID 80756362

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid (CID 61209725) is 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid is CCn1cc(NC(=O)NC(CC(C)C)C(=O)O)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is HSFCFXHBUYWAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-16-7-9(6-13-16)14-12(19)15-10(11(17)18)5-8(2)3/h6-8,10H,4-5H2,1-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid?
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 268.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 61209725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).