4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid

C20H28N4O3 — CID 122091735

IUPAC4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
SMILESCCCc1c(NC(=O)NC(C)(C)CCC(=O)O)cnn1-c1cccc(C)c1
InChIInChI=1S/C20H28N4O3/c1-5-7-17-16(13-21-24(17)15-9-6-8-14(2)12-15)22-19(27)23-20(3,4)11-10-18(25)26/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,25,26)(H2,22,23,27)
InChIKeyUNTZGHYJPGYOIA-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.90
Rot. Bonds8

About 4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid

4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid (PubChem CID 122091735) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
PubChem CID122091735
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
SMILESCCCc1c(NC(=O)NC(C)(C)CCC(=O)O)cnn1-c1cccc(C)c1
InChIInChI=1S/C20H28N4O3/c1-5-7-17-16(13-21-24(17)15-9-6-8-14(2)12-15)22-19(27)23-20(3,4)11-10-18(25)26/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,25,26)(H2,22,23,27)
InChIKeyUNTZGHYJPGYOIA-UHFFFAOYSA-N
XLogP3.90
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid with MolForge

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Related Compounds

4-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
CID 122089922
3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
CID 122089630
1-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122091731
3-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122090983
4-[(2-bromo-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82766558
4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
CID 122088445
4-[(1-butyl-5-propan-2-ylpyrazol-4-yl)carbamoylamino]-4-methylpentanoic acid
CID 122091426
4-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119204342
4-[[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]butanoic acid
CID 122091567
4-methyl-4-[[5-methyl-2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamoylamino]pentanoic acid
CID 122085105
4-[(3-cyclopropyl-1-phenylpyrazol-5-yl)carbamoylamino]-4-methylpentanoic acid
CID 122074917
2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
CID 122089926

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid (CID 122091735) is 4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid is CCCc1c(NC(=O)NC(C)(C)CCC(=O)O)cnn1-c1cccc(C)c1.
What is the InChIKey of 4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid?
The InChIKey is UNTZGHYJPGYOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-5-7-17-16(13-21-24(17)15-9-6-8-14(2)12-15)22-19(27)23-20(3,4)11-10-18(25)26/h6,8-9,12-13H,5,7,10-11H2,1-4H3,(H,25,26)(H2,22,23,27).
What are the key properties of 4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid?
4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid has a molecular weight of 372.47 g/mol, XLogP of 3.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 122091735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).