(3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide

C22H25ClN4O2 — CID 69112839

IUPAC(3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESC[C@@H]1C(C(=O)NN2CCCCC2)=NN(c2ccccc2Cl)[C@H]1c1ccc(O)cc1
InChIInChI=1S/C22H25ClN4O2/c1-15-20(22(29)25-26-13-5-2-6-14-26)24-27(19-8-4-3-7-18(19)23)21(15)16-9-11-17(28)12-10-16/h3-4,7-12,15,21,28H,2,5-6,13-14H2,1H3,(H,25,29)/t15-,21-/m1/s1
InChIKeyVODUQHQYRHSGEW-QVKFZJNVSA-N
MW412.92 g/mol
LogP4.12
Rot. Bonds4

About (3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide

(3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 69112839) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is (3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name(3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
PubChem CID69112839
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name(3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESC[C@@H]1C(C(=O)NN2CCCCC2)=NN(c2ccccc2Cl)[C@H]1c1ccc(O)cc1
InChIInChI=1S/C22H25ClN4O2/c1-15-20(22(29)25-26-13-5-2-6-14-26)24-27(19-8-4-3-7-18(19)23)21(15)16-9-11-17(28)12-10-16/h3-4,7-12,15,21,28H,2,5-6,13-14H2,1H3,(H,25,29)/t15-,21-/m1/s1
InChIKeyVODUQHQYRHSGEW-QVKFZJNVSA-N
XLogP4.12
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of (3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (CID 69112839) is (3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for (3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for (3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is C[C@@H]1C(C(=O)NN2CCCCC2)=NN(c2ccccc2Cl)[C@H]1c1ccc(O)cc1.
What is the InChIKey of (3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is VODUQHQYRHSGEW-QVKFZJNVSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-15-20(22(29)25-26-13-5-2-6-14-26)24-27(19-8-4-3-7-18(19)23)21(15)16-9-11-17(28)12-10-16/h3-4,7-12,15,21,28H,2,5-6,13-14H2,1H3,(H,25,29)/t15-,21-/m1/s1.
What are the key properties of (3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
(3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 412.92 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2-(2-chlorophenyl)-3-(4-hydroxyphenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 69112839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).