N-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide

C20H18N4O2 — CID 141417142

IUPACN-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccn(CCO)n2)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C20H18N4O2/c1-23(18-8-2-15(14-21)3-9-18)20(26)17-6-4-16(5-7-17)19-10-11-24(22-19)12-13-25/h2-11,25H,12-13H2,1H3
InChIKeyGOIQUDNAYNCIIV-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.69
Rot. Bonds5

About N-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide

N-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide (PubChem CID 141417142) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide
PubChem CID141417142
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccn(CCO)n2)cc1)c1ccc(C#N)cc1
InChIInChI=1S/C20H18N4O2/c1-23(18-8-2-15(14-21)3-9-18)20(26)17-6-4-16(5-7-17)19-10-11-24(22-19)12-13-25/h2-11,25H,12-13H2,1H3
InChIKeyGOIQUDNAYNCIIV-UHFFFAOYSA-N
XLogP2.69
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-N-methylpyridazine-4-carboxamide
CID 104670312
6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide
CID 66463352
N-(4-cyanophenyl)-3-ethyl-N,1-dimethylpyrazole-4-carboxamide
CID 102810450
4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide
CID 66125175
3,5-dichloro-N-(4-cyanophenyl)-N-methylbenzamide
CID 62981026
4-bromo-N-(4-cyanophenyl)-N,3-dimethylbenzamide
CID 115772398
N-(4-cyanophenyl)-3-(dimethylamino)-N-methylbenzamide
CID 62983461
N-(4-cyanophenyl)-N-methyl-3-sulfanylbenzamide
CID 107028997
1-(4-cyanophenyl)-3,3-diethyl-1-methylurea
CID 79161464
4-cyano-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655710
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
N-(4-cyanophenyl)-3-methoxy-N-methylbenzamide
CID 62982758

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide (CID 141417142) is N-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide is CN(C(=O)c1ccc(-c2ccn(CCO)n2)cc1)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide?
The InChIKey is GOIQUDNAYNCIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-23(18-8-2-15(14-21)3-9-18)20(26)17-6-4-16(5-7-17)19-10-11-24(22-19)12-13-25/h2-11,25H,12-13H2,1H3.
What are the key properties of N-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide?
N-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide has a molecular weight of 346.39 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-[1-(2-hydroxyethyl)pyrazol-3-yl]-N-methylbenzamide is sourced from PubChem (CID 141417142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).