4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid

C17H19F3N4O3 — CID 122077598

IUPAC4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O3/c1-16(2,9-7-14(25)26)23-15(27)22-11-3-5-12(6-4-11)24-13(8-10-21-24)17(18,19)20/h3-6,8,10H,7,9H2,1-2H3,(H,25,26)(H2,22,23,27)
InChIKeyPWKFVLSXSMQSSU-UHFFFAOYSA-N
MW384.36 g/mol
LogP3.66
Rot. Bonds6

About 4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid

4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid (PubChem CID 122077598) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is 4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid
PubChem CID122077598
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1
InChIInChI=1S/C17H19F3N4O3/c1-16(2,9-7-14(25)26)23-15(27)22-11-3-5-12(6-4-11)24-13(8-10-21-24)17(18,19)20/h3-6,8,10H,7,9H2,1-2H3,(H,25,26)(H2,22,23,27)
InChIKeyPWKFVLSXSMQSSU-UHFFFAOYSA-N
XLogP3.66
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid with MolForge

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Related Compounds

4-methyl-4-[[4-(4-methyl-5-oxo-1,2,4-triazol-1-yl)phenyl]carbamoylamino]pentanoic acid
CID 122088535
2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride
CID 119748794
4-amino-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
CID 119303302
4-methyl-4-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamoylamino]pentanoic acid
CID 122078908
4-methyl-4-[(4-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 62050370
4-[(4-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043312
2-amino-3-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]butanamide
CID 119303298
4-methyl-4-[(3-pyrazol-1-ylphenyl)carbamoylamino]pentanoic acid
CID 122076454
4-[(4-cyanophenyl)carbamoylamino]-4-methylpentanoic acid
CID 62043313
4-[(3-fluoro-4-pyrazol-1-ylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 122078045
2-piperidin-4-yl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
CID 119748787
(2S,4S)-2-methyl-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120625531

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid (CID 122077598) is 4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid?
The InChIKey is PWKFVLSXSMQSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-16(2,9-7-14(25)26)23-15(27)22-11-3-5-12(6-4-11)24-13(8-10-21-24)17(18,19)20/h3-6,8,10H,7,9H2,1-2H3,(H,25,26)(H2,22,23,27).
What are the key properties of 4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid?
4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid has a molecular weight of 384.36 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 122077598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).