N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide

C17H15ClN4O2 — CID 155944607

IUPACN-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
SMILESO=C(NC[C@@H](O)c1cccc(Cl)c1)c1cn[nH]c1-c1cccnc1
InChIInChI=1S/C17H15ClN4O2/c18-13-5-1-3-11(7-13)15(23)10-20-17(24)14-9-21-22-16(14)12-4-2-6-19-8-12/h1-9,15,23H,10H2,(H,20,24)(H,21,22)/t15-/m1/s1
InChIKeyMQSRMNFIJLKRSM-OAHLLOKOSA-N
MW342.79 g/mol
LogP2.59
Rot. Bonds5

About N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide

N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide (PubChem CID 155944607) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
PubChem CID155944607
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
SMILESO=C(NC[C@@H](O)c1cccc(Cl)c1)c1cn[nH]c1-c1cccnc1
InChIInChI=1S/C17H15ClN4O2/c18-13-5-1-3-11(7-13)15(23)10-20-17(24)14-9-21-22-16(14)12-4-2-6-19-8-12/h1-9,15,23H,10H2,(H,20,24)(H,21,22)/t15-/m1/s1
InChIKeyMQSRMNFIJLKRSM-OAHLLOKOSA-N
XLogP2.59
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155949626
5-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 155949629
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 92614346
5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 75378620
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725997
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-5-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 70723908
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 120652144
5-(2-fluorophenyl)-N-[(2S)-2-(3-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 97320264
5-(4-fluorophenyl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-1H-pyrazole-4-carboxamide
CID 166201296
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide (CID 155944607) is N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide is O=C(NC[C@@H](O)c1cccc(Cl)c1)c1cn[nH]c1-c1cccnc1.
What is the InChIKey of N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide?
The InChIKey is MQSRMNFIJLKRSM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-13-5-1-3-11(7-13)15(23)10-20-17(24)14-9-21-22-16(14)12-4-2-6-19-8-12/h1-9,15,23H,10H2,(H,20,24)(H,21,22)/t15-/m1/s1.
What are the key properties of N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide?
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 155944607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).