4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid

C21H28N4O3 — CID 122094669

IUPAC4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCCCn1ncc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)c1C1CC1
InChIInChI=1S/C21H28N4O3/c1-2-12-25-20(16-8-9-16)18(14-22-25)24-21(28)23-17(10-11-19(26)27)13-15-6-4-3-5-7-15/h3-7,14,16-17H,2,8-13H2,1H3,(H,26,27)(H2,23,24,28)
InChIKeyWCCDPNVBVGZYCC-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.77
Rot. Bonds10

About 4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid

4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122094669) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122094669
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCCCn1ncc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)c1C1CC1
InChIInChI=1S/C21H28N4O3/c1-2-12-25-20(16-8-9-16)18(14-22-25)24-21(28)23-17(10-11-19(26)27)13-15-6-4-3-5-7-15/h3-7,14,16-17H,2,8-13H2,1H3,(H,26,27)(H2,23,24,28)
InChIKeyWCCDPNVBVGZYCC-UHFFFAOYSA-N
XLogP3.77
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122091996
4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122088653
4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122008021
5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 122006817
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-[(2-methyl-5-methylsulfanylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088884
4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122001047
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid
CID 122086037
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122092507
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122016796

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid (CID 122094669) is 4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid is CCCn1ncc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)c1C1CC1.
What is the InChIKey of 4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is WCCDPNVBVGZYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-2-12-25-20(16-8-9-16)18(14-22-25)24-21(28)23-17(10-11-19(26)27)13-15-6-4-3-5-7-15/h3-7,14,16-17H,2,8-13H2,1H3,(H,26,27)(H2,23,24,28).
What are the key properties of 4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid?
4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 384.48 g/mol, XLogP of 3.77, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122094669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).