5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid

C18H23N3O4 — CID 103570664

IUPAC5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCCn1cc(CC(CCC(=O)O)NC(=O)OCc2ccccc2)cn1
InChIInChI=1S/C18H23N3O4/c1-2-21-12-15(11-19-21)10-16(8-9-17(22)23)20-18(24)25-13-14-6-4-3-5-7-14/h3-7,11-12,16H,2,8-10,13H2,1H3,(H,20,24)(H,22,23)
InChIKeyPCFHDQPYMMDPMV-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.61
Rot. Bonds9

About 5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid

5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 103570664) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID103570664
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid
SMILESCCn1cc(CC(CCC(=O)O)NC(=O)OCc2ccccc2)cn1
InChIInChI=1S/C18H23N3O4/c1-2-21-12-15(11-19-21)10-16(8-9-17(22)23)20-18(24)25-13-14-6-4-3-5-7-14/h3-7,11-12,16H,2,8-10,13H2,1H3,(H,20,24)(H,22,23)
InChIKeyPCFHDQPYMMDPMV-UHFFFAOYSA-N
XLogP2.61
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1-ethylpyrazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122016796
4-amino-5-(1-ethylpyrazol-4-yl)pentanoic acid
CID 103570661
5-(3-chloro-4-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 103775222
5-(2-methylquinolin-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 113247411
(4S)-5-amino-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 6992292
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
(4S)-5-oxo-5-(2-phenylethylamino)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 53360807
5-(3-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 104930300
5-(4-chloro-2-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 104980215
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
benzyl N-[(2S)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 66600444
1-(1-ethylpyrazol-4-yl)-N-methyl-3-phenoxypropan-2-amine
CID 62715334

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid (CID 103570664) is 5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid is CCn1cc(CC(CCC(=O)O)NC(=O)OCc2ccccc2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is PCFHDQPYMMDPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-21-12-15(11-19-21)10-16(8-9-17(22)23)20-18(24)25-13-14-6-4-3-5-7-14/h3-7,11-12,16H,2,8-10,13H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid?
5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 345.40 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-4-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 103570664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).