[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone

C19H26N4O2 — CID 126816317

IUPAC[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone
SMILESCCCC1(CO)CCN(C(=O)c2cccc(Nc3cnn(C)c3)c2)C1
InChIInChI=1S/C19H26N4O2/c1-3-7-19(14-24)8-9-23(13-19)18(25)15-5-4-6-16(10-15)21-17-11-20-22(2)12-17/h4-6,10-12,21,24H,3,7-9,13-14H2,1-2H3
InChIKeyBVRIYQWNZZWBID-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.79
Rot. Bonds6

About [3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone

[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone (PubChem CID 126816317) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone
PubChem CID126816317
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone
SMILESCCCC1(CO)CCN(C(=O)c2cccc(Nc3cnn(C)c3)c2)C1
InChIInChI=1S/C19H26N4O2/c1-3-7-19(14-24)8-9-23(13-19)18(25)15-5-4-6-16(10-15)21-17-11-20-22(2)12-17/h4-6,10-12,21,24H,3,7-9,13-14H2,1-2H3
InChIKeyBVRIYQWNZZWBID-UHFFFAOYSA-N
XLogP2.79
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone 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

1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone
CID 97235719
benzyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71846936
[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 97155764
1-methyl-N-[3-[2-oxo-3-(2-phenylethyl)-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyrazole-4-carboxamide
CID 110151763
1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71906087
3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide
CID 71914773
1-(3-hydroxybenzoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125171
3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146415
[3-ethyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
CID 139580306
N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide
CID 71914810
4-(aminomethyl)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]oxane-4-carboxamide
CID 120932952

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone?
The IUPAC name of [3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone (CID 126816317) is [3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone?
The canonical SMILES for [3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone is CCCC1(CO)CCN(C(=O)c2cccc(Nc3cnn(C)c3)c2)C1.
What is the InChIKey of [3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone?
The InChIKey is BVRIYQWNZZWBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-7-19(14-24)8-9-23(13-19)18(25)15-5-4-6-16(10-15)21-17-11-20-22(2)12-17/h4-6,10-12,21,24H,3,7-9,13-14H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone?
[3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-3-propylpyrrolidin-1-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone is sourced from PubChem (CID 126816317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).