N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide

C19H25ClN4O2 — CID 139008671

IUPACN-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide
SMILESCC(C)c1c(NC(=O)N2CCCC2(C)CO)cnn1-c1ccccc1Cl
InChIInChI=1S/C19H25ClN4O2/c1-13(2)17-15(11-21-24(17)16-8-5-4-7-14(16)20)22-18(26)23-10-6-9-19(23,3)12-25/h4-5,7-8,11,13,25H,6,9-10,12H2,1-3H3,(H,22,26)
InChIKeyCDOBLJOVXQMTPJ-UHFFFAOYSA-N
MW376.89 g/mol
LogP4.03
Rot. Bonds4

About N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide

N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide (PubChem CID 139008671) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide
PubChem CID139008671
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC NameN-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide
SMILESCC(C)c1c(NC(=O)N2CCCC2(C)CO)cnn1-c1ccccc1Cl
InChIInChI=1S/C19H25ClN4O2/c1-13(2)17-15(11-21-24(17)16-8-5-4-7-14(16)20)22-18(26)23-10-6-9-19(23,3)12-25/h4-5,7-8,11,13,25H,6,9-10,12H2,1-3H3,(H,22,26)
InChIKeyCDOBLJOVXQMTPJ-UHFFFAOYSA-N
XLogP4.03
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide 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-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1,4-dioxane-2-carboxamide
CID 139008448
1-(2-chlorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 156601815
4-(chloromethyl)-1-(2-chlorophenyl)-5-propan-2-ylpyrazole
CID 66436399
1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-amine;hydrochloride
CID 86775375
1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine
CID 138038926
1-(2-chlorophenyl)-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 166222953
1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65499998
2-[5-(2-chlorophenyl)-8-oxo-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3-trien-7-yl]-N-propan-2-ylacetamide
CID 92580126
1-[(3-chloro-2-fluorophenyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83065147
(2S)-2-hydroxy-1-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]propan-1-one
CID 130736395
1-(2-ethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxylic acid
CID 82361271
[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-3-yl]methanol
CID 82087529

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide (CID 139008671) is N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide is CC(C)c1c(NC(=O)N2CCCC2(C)CO)cnn1-c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide?
The InChIKey is CDOBLJOVXQMTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-13(2)17-15(11-21-24(17)16-8-5-4-7-14(16)20)22-18(26)23-10-6-9-19(23,3)12-25/h4-5,7-8,11,13,25H,6,9-10,12H2,1-3H3,(H,22,26).
What are the key properties of N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide?
N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide has a molecular weight of 376.89 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 139008671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).