3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide

C17H22N4O2 — CID 118765598

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESCc1n[nH]c(C)c1-c1cccc(C(=O)NCC2(O)CCNC2)c1
InChIInChI=1S/C17H22N4O2/c1-11-15(12(2)21-20-11)13-4-3-5-14(8-13)16(22)19-10-17(23)6-7-18-9-17/h3-5,8,18,23H,6-7,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyAJIUPCAGDWKICI-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.15
Rot. Bonds4

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide (PubChem CID 118765598) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
PubChem CID118765598
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESCc1n[nH]c(C)c1-c1cccc(C(=O)NCC2(O)CCNC2)c1
InChIInChI=1S/C17H22N4O2/c1-11-15(12(2)21-20-11)13-4-3-5-14(8-13)16(22)19-10-17(23)6-7-18-9-17/h3-5,8,18,23H,6-7,9-10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyAJIUPCAGDWKICI-UHFFFAOYSA-N
XLogP1.15
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-3-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 126447612
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 119059858
6-[3-[[(3R)-3-hydroxypiperidin-3-yl]methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 125446165
4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide
CID 126441939
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide
CID 125171716
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfonylbenzamide
CID 114760745
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide
CID 126448894
ethyl 4-[4-[[(3R)-3-hydroxypyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126431731
5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide
CID 176502935
4-(4,6-dimethoxypyrimidin-2-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide;formic acid
CID 154905103
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121499472

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide (CID 118765598) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide is Cc1n[nH]c(C)c1-c1cccc(C(=O)NCC2(O)CCNC2)c1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide?
The InChIKey is AJIUPCAGDWKICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-15(12(2)21-20-11)13-4-3-5-14(8-13)16(22)19-10-17(23)6-7-18-9-17/h3-5,8,18,23H,6-7,9-10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide has a molecular weight of 314.39 g/mol, XLogP of 1.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 118765598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).