benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate

C21H25N5O2 — CID 68562142

IUPACbenzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate
SMILESCN(C)CCNc1cc(-c2cn[nH]c2)ccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C21H25N5O2/c1-26(2)11-10-22-20-12-17(18-13-23-24-14-18)8-9-19(20)25-21(27)28-15-16-6-4-3-5-7-16/h3-9,12-14,22H,10-11,15H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyBCJBWDJSVMVQPH-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.80
Rot. Bonds8

About benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate

benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate (PubChem CID 68562142) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate
PubChem CID68562142
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Namebenzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate
SMILESCN(C)CCNc1cc(-c2cn[nH]c2)ccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C21H25N5O2/c1-26(2)11-10-22-20-12-17(18-13-23-24-14-18)8-9-19(20)25-21(27)28-15-16-6-4-3-5-7-16/h3-9,12-14,22H,10-11,15H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyBCJBWDJSVMVQPH-UHFFFAOYSA-N
XLogP3.80
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[2-[2-(dimethylamino)ethylsulfanyl]-4-(1H-pyrazol-4-yl)phenyl]carbamate;bis(2,2,2-trifluoroacetic acid)
CID 117076572
N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2-phenylacetamide
CID 90385244
(3-methoxyphenyl)methyl N-[2-(1H-imidazol-2-ylmethoxy)-4-(1H-pyrazol-4-yl)phenyl]carbamate
CID 68564263
2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide
CID 68761090
(3-methoxyphenyl)methyl N-[2-[2-(dimethylamino)ethoxy]-5-fluoro-4-(1H-pyrazol-4-yl)phenyl]carbamate
CID 68564347
2-[2-[benzyl(methyl)amino]ethoxy]-4-(1H-pyrazol-4-yl)benzamide
CID 68756527
benzyl N-[2-(4-fluorophenyl)-2-[4-(1H-pyrazol-4-yl)phenyl]ethyl]carbamate;2-(4-fluorophenyl)-N-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
CID 160807430
(3-methoxyphenyl)methyl N-[4-(1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethylsulfanyl)phenyl]carbamate
CID 68568081
(2R)-N-[2-acetamido-5-(1H-pyrazol-4-yl)phenyl]-2-amino-3-(3-fluorophenyl)propanamide
CID 117074618
N-[2-[2-(dimethylamino)ethyl-methylamino]oxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310681
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
(3-methoxyphenyl)methyl N-[2-(2-morpholin-4-ylethylsulfanyl)-4-(1H-pyrazol-4-yl)phenyl]carbamate
CID 68563412

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate (CID 68562142) is benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate is CN(C)CCNc1cc(-c2cn[nH]c2)ccc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate?
The InChIKey is BCJBWDJSVMVQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-26(2)11-10-22-20-12-17(18-13-23-24-14-18)8-9-19(20)25-21(27)28-15-16-6-4-3-5-7-16/h3-9,12-14,22H,10-11,15H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate?
benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate has a molecular weight of 379.46 g/mol, XLogP of 3.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[2-(dimethylamino)ethylamino]-4-(1H-pyrazol-4-yl)phenyl]carbamate is sourced from PubChem (CID 68562142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).