N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide

C22H24N4O — CID 95862314

IUPACN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc([C@H]2CCNC2)cc1
InChIInChI=1S/C22H24N4O/c1-25(16-17-3-9-21(10-4-17)26-14-2-12-24-26)22(27)19-7-5-18(6-8-19)20-11-13-23-15-20/h2-10,12,14,20,23H,11,13,15-16H2,1H3/t20-/m0/s1
InChIKeyGFHFIKZWROKJQR-FQEVSTJZSA-N
MW360.46 g/mol
LogP3.22
Rot. Bonds5

About N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide

N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide (PubChem CID 95862314) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
PubChem CID95862314
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
SMILESCN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc([C@H]2CCNC2)cc1
InChIInChI=1S/C22H24N4O/c1-25(16-17-3-9-21(10-4-17)26-14-2-12-24-26)22(27)19-7-5-18(6-8-19)20-11-13-23-15-20/h2-10,12,14,20,23H,11,13,15-16H2,1H3/t20-/m0/s1
InChIKeyGFHFIKZWROKJQR-FQEVSTJZSA-N
XLogP3.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56882809
N-methyl-N-piperidin-3-yl-4-pyrazol-1-ylbenzamide
CID 175264909
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56896332
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310
N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 68723933
1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
N-methyl-2-methylsulfanyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 70714246
N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
CID 38270812
N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46485261
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
CID 70711180
2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 70786327
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide (CID 95862314) is N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide is CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc([C@H]2CCNC2)cc1.
What is the InChIKey of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide?
The InChIKey is GFHFIKZWROKJQR-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4O/c1-25(16-17-3-9-21(10-4-17)26-14-2-12-24-26)22(27)19-7-5-18(6-8-19)20-11-13-23-15-20/h2-10,12,14,20,23H,11,13,15-16H2,1H3/t20-/m0/s1.
What are the key properties of N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide?
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide has a molecular weight of 360.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 95862314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).