4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid

C19H26N4O3 — CID 122016796

IUPAC4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
SMILESCCn1cc(C(C)NC(=O)NC(CCC(=O)O)Cc2ccccc2)cn1
InChIInChI=1S/C19H26N4O3/c1-3-23-13-16(12-20-23)14(2)21-19(26)22-17(9-10-18(24)25)11-15-7-5-4-6-8-15/h4-8,12-14,17H,3,9-11H2,1-2H3,(H,24,25)(H2,21,22,26)
InChIKeyTWNFEZLBKAIXAV-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.74
Rot. Bonds9

About 4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid

4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122016796) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122016796
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
SMILESCCn1cc(C(C)NC(=O)NC(CCC(=O)O)Cc2ccccc2)cn1
InChIInChI=1S/C19H26N4O3/c1-3-23-13-16(12-20-23)14(2)21-19(26)22-17(9-10-18(24)25)11-15-7-5-4-6-8-15/h4-8,12-14,17H,3,9-11H2,1-2H3,(H,24,25)(H2,21,22,26)
InChIKeyTWNFEZLBKAIXAV-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 103570664
4-[[(1S)-1-(3-hydroxyphenyl)ethyl]carbamoylamino]-5-phenylpentanoic acid
CID 122011972
N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-phenylpropan-2-amine
CID 63012963
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122008021
4-[2-(2-methylpyrazol-3-yl)propanoylamino]-5-phenylpentanoic acid
CID 122111365
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(4-chloro-1-methylpyrazol-3-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016344
5-phenyl-4-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]carbamoylamino]pentanoic acid
CID 122028015

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid (CID 122016796) is 4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid is CCn1cc(C(C)NC(=O)NC(CCC(=O)O)Cc2ccccc2)cn1.
What is the InChIKey of 4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is TWNFEZLBKAIXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-23-13-16(12-20-23)14(2)21-19(26)22-17(9-10-18(24)25)11-15-7-5-4-6-8-15/h4-8,12-14,17H,3,9-11H2,1-2H3,(H,24,25)(H2,21,22,26).
What are the key properties of 4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 358.44 g/mol, XLogP of 2.74, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122016796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).