2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid

C14H16N4O3 — CID 61191990

IUPAC2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C14H16N4O3/c19-13(20)10-18-9-12(8-16-18)17-14(21)15-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,19,20)(H2,15,17,21)
InChIKeyKUYNEMNAXKYOLP-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.33
Rot. Bonds6

About 2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid

2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid (PubChem CID 61191990) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid
PubChem CID61191990
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(NC(=O)NCCc2ccccc2)cn1
InChIInChI=1S/C14H16N4O3/c19-13(20)10-18-9-12(8-16-18)17-14(21)15-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,19,20)(H2,15,17,21)
InChIKeyKUYNEMNAXKYOLP-UHFFFAOYSA-N
XLogP1.33
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-thiophen-2-ylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191363
2-[4-[(5-amino-5-oxopentyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 106238927
2-[4-(octylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115569282
2-[4-(4,4,4-trifluorobutylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 115521189
1-(1-benzylpyrazol-4-yl)-3-(2-phenylethyl)thiourea
CID 19343087
2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 61017720
2-[4-[(2,6-dichlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 65499226
2-[4-[(2,6-dibromophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 107601737
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
2-[4-[(3-chlorophenyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 61019050
2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 102907100
4-[2-[(1-methylpyrazol-4-yl)carbamoylamino]ethyl]benzoic acid
CID 61198132

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid (CID 61191990) is 2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(NC(=O)NCCc2ccccc2)cn1.
What is the InChIKey of 2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid?
The InChIKey is KUYNEMNAXKYOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-13(20)10-18-9-12(8-16-18)17-14(21)15-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,19,20)(H2,15,17,21).
What are the key properties of 2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid?
2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid has a molecular weight of 288.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 61191990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).