N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C29H28N4O2 — CID 34186155

IUPACN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C29H28N4O2/c1-32(19-21-9-13-24(14-10-21)28(34)31-25-15-16-25)29(35)27-6-3-2-5-26(27)23-11-7-22(8-12-23)20-33-18-4-17-30-33/h2-14,17-18,25H,15-16,19-20H2,1H3,(H,31,34)
InChIKeyZRLYUSFYWHKSMF-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.76
Rot. Bonds8

About N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 34186155) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID34186155
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C29H28N4O2/c1-32(19-21-9-13-24(14-10-21)28(34)31-25-15-16-25)29(35)27-6-3-2-5-26(27)23-11-7-22(8-12-23)20-33-18-4-17-30-33/h2-14,17-18,25H,15-16,19-20H2,1H3,(H,31,34)
InChIKeyZRLYUSFYWHKSMF-UHFFFAOYSA-N
XLogP4.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55594865
N-cyclopentyl-4-(pyrazol-1-ylmethyl)benzamide
CID 18136591
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39948127
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide
CID 38398694
N-[4-(diethylcarbamoyl)phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630760
4-(pyrazol-1-ylmethyl)-N-pyrrolidin-3-ylbenzamide
CID 68738531
N-(3-cyclohexyloxypropyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55532623
N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24681023
N-[(3R)-1-methylpiperidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 92608066
N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46485261
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987
N-(1,1-dioxothiolan-3-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18137645

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 34186155) is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is ZRLYUSFYWHKSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-32(19-21-9-13-24(14-10-21)28(34)31-25-15-16-25)29(35)27-6-3-2-5-26(27)23-11-7-22(8-12-23)20-33-18-4-17-30-33/h2-14,17-18,25H,15-16,19-20H2,1H3,(H,31,34).
What are the key properties of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 464.57 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 34186155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).