4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid

C14H24N4O3 — CID 122085895

IUPAC4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid
SMILESCC(C)Cn1cc(NC(=O)NC(C)(C)CCC(=O)O)cn1
InChIInChI=1S/C14H24N4O3/c1-10(2)8-18-9-11(7-15-18)16-13(21)17-14(3,4)6-5-12(19)20/h7,9-10H,5-6,8H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyCRIGPHVQIIRGCU-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.30
Rot. Bonds7

About 4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid

4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid (PubChem CID 122085895) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid
PubChem CID122085895
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid
SMILESCC(C)Cn1cc(NC(=O)NC(C)(C)CCC(=O)O)cn1
InChIInChI=1S/C14H24N4O3/c1-10(2)8-18-9-11(7-15-18)16-13(21)17-14(3,4)6-5-12(19)20/h7,9-10H,5-6,8H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyCRIGPHVQIIRGCU-UHFFFAOYSA-N
XLogP2.30
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 111926554
1-(2-hydroxy-2-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475794
1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475816
4-[(2-ethylpyrimidin-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122087422
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 62050370
1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111840718
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-2-methylbutanoic acid
CID 79800954
2-(methylamino)-N-[1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119809382
4-[(1-butyl-5-propan-2-ylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 122091426
1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea
CID 71861224
2-[(1-ethylpyrazol-4-yl)carbamoylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79801031
2-amino-N-[1-(2-methylpropyl)pyrazol-4-yl]-2-phenylacetamide
CID 119338210

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid (CID 122085895) is 4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid is CC(C)Cn1cc(NC(=O)NC(C)(C)CCC(=O)O)cn1.
What is the InChIKey of 4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid?
The InChIKey is CRIGPHVQIIRGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-10(2)8-18-9-11(7-15-18)16-13(21)17-14(3,4)6-5-12(19)20/h7,9-10H,5-6,8H2,1-4H3,(H,19,20)(H2,16,17,21).
What are the key properties of 4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid?
4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 122085895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).