4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid

C18H24N4O3 — CID 122092568

IUPAC4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid
SMILESCc1ccc(-c2ccnn2C)cc1NC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C18H24N4O3/c1-12-5-6-13(15-8-10-19-22(15)4)11-14(12)20-17(25)21-18(2,3)9-7-16(23)24/h5-6,8,10-11H,7,9H2,1-4H3,(H,23,24)(H2,20,21,25)
InChIKeyJVBFZYCQDXBXJA-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.16
Rot. Bonds6

About 4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid

4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid (PubChem CID 122092568) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid
PubChem CID122092568
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid
SMILESCc1ccc(-c2ccnn2C)cc1NC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C18H24N4O3/c1-12-5-6-13(15-8-10-19-22(15)4)11-14(12)20-17(25)21-18(2,3)9-7-16(23)24/h5-6,8,10-11H,7,9H2,1-4H3,(H,23,24)(H2,20,21,25)
InChIKeyJVBFZYCQDXBXJA-UHFFFAOYSA-N
XLogP3.16
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid with MolForge

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Related Compounds

4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
CID 122088445
4-methyl-4-[[2-methyl-5-(phenylcarbamoyl)phenyl]carbamoylamino]pentanoic acid
CID 122076052
1-[(1R,2R)-2-hydroxycyclohexyl]-3-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]urea
CID 125140861
4-[(1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid
CID 122087152
2-[ethyl-[3-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122092571
4-[(4-bromo-2-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 62049442
3-methyl-1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122092574
1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122092567
(2S,3S)-3-methyl-N-[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]-1,4-dioxane-2-carboxamide
CID 136586352
4-[(2-bromo-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82766558
4-[2-methyl-5-(2-methylpyrazol-3-yl)anilino]cyclohexane-1-carboxylic acid
CID 122033887
1-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092570

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid (CID 122092568) is 4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid is Cc1ccc(-c2ccnn2C)cc1NC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid?
The InChIKey is JVBFZYCQDXBXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-5-6-13(15-8-10-19-22(15)4)11-14(12)20-17(25)21-18(2,3)9-7-16(23)24/h5-6,8,10-11H,7,9H2,1-4H3,(H,23,24)(H2,20,21,25).
What are the key properties of 4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid?
4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid has a molecular weight of 344.42 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[2-methyl-5-(2-methylpyrazol-3-yl)phenyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 122092568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).