benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate

C21H24N4O2 — CID 166637786

IUPACbenzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate
SMILESNCCc1ccc(-c2cnn(CCNC(=O)OCc3ccccc3)c2)cc1
InChIInChI=1S/C21H24N4O2/c22-11-10-17-6-8-19(9-7-17)20-14-24-25(15-20)13-12-23-21(26)27-16-18-4-2-1-3-5-18/h1-9,14-15H,10-13,16,22H2,(H,23,26)
InChIKeyQOQCEVURSUQNSY-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.98
Rot. Bonds8

About benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate

benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate (PubChem CID 166637786) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate
PubChem CID166637786
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Namebenzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate
SMILESNCCc1ccc(-c2cnn(CCNC(=O)OCc3ccccc3)c2)cc1
InChIInChI=1S/C21H24N4O2/c22-11-10-17-6-8-19(9-7-17)20-14-24-25(15-20)13-12-23-21(26)27-16-18-4-2-1-3-5-18/h1-9,14-15H,10-13,16,22H2,(H,23,26)
InChIKeyQOQCEVURSUQNSY-UHFFFAOYSA-N
XLogP2.98
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]acetate
CID 166637798
benzyl N-[3-(4-bromopyrazol-1-yl)propyl]carbamate
CID 130570425
(4-phenylphenyl)methyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 162509952
benzyl N-[2-(triazol-1-yl)ethyl]carbamate
CID 130166648
2-[4-[4-(methoxymethyl)phenyl]pyrazol-1-yl]ethanamine
CID 164607189
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
benzyl N-[2-(4-formyltriazol-1-yl)ethyl]carbamate
CID 121208843
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-[2-[2,4,6-trioxo-3,5-bis[2-(phenylmethoxycarbonylamino)ethyl]-1,3,5-triazinan-1-yl]ethyl]carbamate
CID 118585539
2-fluoro-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 121020133
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate
CID 163963342

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate (CID 166637786) is benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate is NCCc1ccc(-c2cnn(CCNC(=O)OCc3ccccc3)c2)cc1.
What is the InChIKey of benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate?
The InChIKey is QOQCEVURSUQNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c22-11-10-17-6-8-19(9-7-17)20-14-24-25(15-20)13-12-23-21(26)27-16-18-4-2-1-3-5-18/h1-9,14-15H,10-13,16,22H2,(H,23,26).
What are the key properties of benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate?
benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate has a molecular weight of 364.45 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[4-[4-(2-aminoethyl)phenyl]pyrazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 166637786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).