4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide

C24H25N5O2 — CID 86942756

IUPAC4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide
SMILESN#Cc1cnn(-c2ccc(C(=O)NCc3cccc(OC4CCCCC4)c3)cc2)c1N
InChIInChI=1S/C24H25N5O2/c25-14-19-16-28-29(23(19)26)20-11-9-18(10-12-20)24(30)27-15-17-5-4-8-22(13-17)31-21-6-2-1-3-7-21/h4-5,8-13,16,21H,1-3,6-7,15,26H2,(H,27,30)
InChIKeyDZOXPHZATGDOSA-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.97
Rot. Bonds6

About 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide

4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide (PubChem CID 86942756) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide
PubChem CID86942756
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide
SMILESN#Cc1cnn(-c2ccc(C(=O)NCc3cccc(OC4CCCCC4)c3)cc2)c1N
InChIInChI=1S/C24H25N5O2/c25-14-19-16-28-29(23(19)26)20-11-9-18(10-12-20)24(30)27-15-17-5-4-8-22(13-17)31-21-6-2-1-3-7-21/h4-5,8-13,16,21H,1-3,6-7,15,26H2,(H,27,30)
InChIKeyDZOXPHZATGDOSA-UHFFFAOYSA-N
XLogP3.97
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide?
The IUPAC name of 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide (CID 86942756) is 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide is N#Cc1cnn(-c2ccc(C(=O)NCc3cccc(OC4CCCCC4)c3)cc2)c1N.
What is the InChIKey of 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide?
The InChIKey is DZOXPHZATGDOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c25-14-19-16-28-29(23(19)26)20-11-9-18(10-12-20)24(30)27-15-17-5-4-8-22(13-17)31-21-6-2-1-3-7-21/h4-5,8-13,16,21H,1-3,6-7,15,26H2,(H,27,30).
What are the key properties of 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide?
4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide has a molecular weight of 415.50 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-cyanopyrazol-1-yl)-N-[(3-cyclohexyloxyphenyl)methyl]benzamide is sourced from PubChem (CID 86942756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).