4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid

C16H20N4O3 — CID 122076454

IUPAC4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C16H20N4O3/c1-16(2,8-7-14(21)22)19-15(23)18-12-5-3-6-13(11-12)20-10-4-9-17-20/h3-6,9-11H,7-8H2,1-2H3,(H,21,22)(H2,18,19,23)
InChIKeyNWPMGKYALGIHAR-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.64
Rot. Bonds6

About 4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid

4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid (PubChem CID 122076454) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
PubChem CID122076454
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C16H20N4O3/c1-16(2,8-7-14(21)22)19-15(23)18-12-5-3-6-13(11-12)20-10-4-9-17-20/h3-6,9-11H,7-8H2,1-2H3,(H,21,22)(H2,18,19,23)
InChIKeyNWPMGKYALGIHAR-UHFFFAOYSA-N
XLogP2.64
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122078045
4-methyl-4-[[3-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]pentanoic acid
CID 122092164
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
4-[(3-carbamoylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 107809515
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
4-methyl-4-[(4-pyrazol-1-ylbenzoyl)amino]pentanoic acid
CID 119203940
4-methyl-4-[(3-pyridin-2-yloxyphenyl)carbamoylamino]pentanoic acid
CID 122085969
4-[[3-(cyclohexanecarbonylamino)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086280
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
(2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25366994
4-methyl-4-[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]pentanoic acid
CID 119357214
1-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 95775579

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid (CID 122076454) is 4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid?
The InChIKey is NWPMGKYALGIHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-16(2,8-7-14(21)22)19-15(23)18-12-5-3-6-13(11-12)20-10-4-9-17-20/h3-6,9-11H,7-8H2,1-2H3,(H,21,22)(H2,18,19,23).
What are the key properties of 4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid?
4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid has a molecular weight of 316.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 122076454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).