N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

C19H25ClN4O — CID 97454362

IUPACN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCC2)c1C
InChIInChI=1S/C19H25ClN4O/c1-3-16-13(2)18(23-22-16)19(25)21-12-17(24-10-4-5-11-24)14-6-8-15(20)9-7-14/h6-9,17H,3-5,10-12H2,1-2H3,(H,21,25)(H,22,23)/t17-/m1/s1
InChIKeyCHZYADQFFGJDFN-QGZVFWFLSA-N
MW360.89 g/mol
LogP3.50
Rot. Bonds6

About N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide

N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (PubChem CID 97454362) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
PubChem CID97454362
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCC2)c1C
InChIInChI=1S/C19H25ClN4O/c1-3-16-13(2)18(23-22-16)19(25)21-12-17(24-10-4-5-11-24)14-6-8-15(20)9-7-14/h6-9,17H,3-5,10-12H2,1-2H3,(H,21,25)(H,22,23)/t17-/m1/s1
InChIKeyCHZYADQFFGJDFN-QGZVFWFLSA-N
XLogP3.50
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 125167167
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxamide
CID 39867171
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1H-indazole-3-carboxamide
CID 52798650
5-(4-chlorophenyl)-N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 39865815
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 43843501
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
methyl 2-ethyl-5-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 31141082
2-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011550
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 125440898
N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 35181299
2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
CID 7496263

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide (CID 97454362) is N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCC2)c1C.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is CHZYADQFFGJDFN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-3-16-13(2)18(23-22-16)19(25)21-12-17(24-10-4-5-11-24)14-6-8-15(20)9-7-14/h6-9,17H,3-5,10-12H2,1-2H3,(H,21,25)(H,22,23)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide?
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 360.89 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-ethyl-4-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97454362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).