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

C19H26N4O3 — CID 122088653

IUPAC4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCCCc1cc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)n(C)n1
InChIInChI=1S/C19H26N4O3/c1-3-7-16-13-17(23(2)22-16)21-19(26)20-15(10-11-18(24)25)12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H,24,25)(H2,20,21,26)
InChIKeyCSGGFZUNWHKEGO-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.97
Rot. Bonds9

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

4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122088653) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid
PubChem CID122088653
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid
SMILESCCCc1cc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)n(C)n1
InChIInChI=1S/C19H26N4O3/c1-3-7-16-13-17(23(2)22-16)21-19(26)20-15(10-11-18(24)25)12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H,24,25)(H2,20,21,26)
InChIKeyCSGGFZUNWHKEGO-UHFFFAOYSA-N
XLogP2.97
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99702012
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120546823
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[(5-cyclopropyl-1-propylpyrazol-4-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122094669
4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122091996
4-[[3-(2-methylpropanoylamino)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122075451
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122092507
4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016072
5-phenyl-4-[[3-(2,2,2-trifluoroethyl)phenyl]carbamoylamino]pentanoic acid
CID 122085886
4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122008021

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid (CID 122088653) is 4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid is CCCc1cc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)n(C)n1.
What is the InChIKey of 4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is CSGGFZUNWHKEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-7-16-13-17(23(2)22-16)21-19(26)20-15(10-11-18(24)25)12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,3,7,10-12H2,1-2H3,(H,24,25)(H2,20,21,26).
What are the key properties of 4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid?
4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 358.44 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122088653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).