4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid

C19H26N4O4 — CID 122090813

IUPAC4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid
SMILESCOCC(C)n1ccc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)n1
InChIInChI=1S/C19H26N4O4/c1-14(13-27-2)23-11-10-17(22-23)21-19(26)20-16(8-9-18(24)25)12-15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,24,25)(H2,20,21,22,26)
InChIKeyLQTQUCOBEBEXFC-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.69
Rot. Bonds10

About 4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid

4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid (PubChem CID 122090813) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid
PubChem CID122090813
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid
SMILESCOCC(C)n1ccc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)n1
InChIInChI=1S/C19H26N4O4/c1-14(13-27-2)23-11-10-17(22-23)21-19(26)20-16(8-9-18(24)25)12-15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,24,25)(H2,20,21,22,26)
InChIKeyLQTQUCOBEBEXFC-UHFFFAOYSA-N
XLogP2.69
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxy-2,3,6-trimethylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122093496
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122092507
4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122092058
4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid
CID 129470308
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122077963
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(1-methyl-3-propylpyrazol-5-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122088653
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[[3-(2-methylpropanoylamino)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122075451
5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid
CID 122093742
4-[(2-methoxy-5-methyl-3-pyridinyl)carbamoylamino]-5-phenylpentanoic acid
CID 122086037
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid (CID 122090813) is 4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid is COCC(C)n1ccc(NC(=O)NC(CCC(=O)O)Cc2ccccc2)n1.
What is the InChIKey of 4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid?
The InChIKey is LQTQUCOBEBEXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-14(13-27-2)23-11-10-17(22-23)21-19(26)20-16(8-9-18(24)25)12-15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3,(H,24,25)(H2,20,21,22,26).
What are the key properties of 4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid?
4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid has a molecular weight of 374.44 g/mol, XLogP of 2.69, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122090813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).