4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide

C19H16N4O2 — CID 118709043

IUPAC4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide
SMILESN#Cc1cnn(C(=O)NCc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C19H16N4O2/c20-10-17-12-22-23(13-17)19(24)21-11-15-6-8-18(9-7-15)25-14-16-4-2-1-3-5-16/h1-9,12-13H,11,14H2,(H,21,24)
InChIKeyGHMJQEZJMFDIOS-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.09
Rot. Bonds5

About 4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide

4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide (PubChem CID 118709043) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide
PubChem CID118709043
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide
SMILESN#Cc1cnn(C(=O)NCc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C19H16N4O2/c20-10-17-12-22-23(13-17)19(24)21-11-15-6-8-18(9-7-15)25-14-16-4-2-1-3-5-16/h1-9,12-13H,11,14H2,(H,21,24)
InChIKeyGHMJQEZJMFDIOS-UHFFFAOYSA-N
XLogP3.09
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[bis(4-phenylmethoxyphenyl)methyl-methylamino]ethyl]-4-cyano-N-methylpyrazole-1-carboxamide
CID 155520173
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111438140
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
N-[(4-cyanophenyl)methyl]-2-phenylmethoxyacetamide
CID 134035388
(4-phenylmethoxyphenyl)methylthiourea
CID 5277334
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
1-(3-hydroxybutyl)-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111337141
2-(4-cyanophenoxy)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]propanamide
CID 55707900
N-methyl-2-[(4-phenylmethoxyphenyl)methylamino]acetamide
CID 22421272
N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248897
(E)-N-benzyl-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enamide
CID 21207083

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide?
The IUPAC name of 4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide (CID 118709043) is 4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide?
The canonical SMILES for 4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide is N#Cc1cnn(C(=O)NCc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide?
The InChIKey is GHMJQEZJMFDIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-10-17-12-22-23(13-17)19(24)21-11-15-6-8-18(9-7-15)25-14-16-4-2-1-3-5-16/h1-9,12-13H,11,14H2,(H,21,24).
What are the key properties of 4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide?
4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(4-phenylmethoxyphenyl)methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 118709043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).