N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide

C19H25ClN4O — CID 125169295

IUPACN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H25ClN4O/c1-15-8-10-22-24(15)13-9-19(25)21-14-18(23-11-2-3-12-23)16-4-6-17(20)7-5-16/h4-8,10,18H,2-3,9,11-14H2,1H3,(H,21,25)/t18-/m1/s1
InChIKeyDLXDXZGGJVRWHB-GOSISDBHSA-N
MW360.89 g/mol
LogP3.19
Rot. Bonds7

About N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide

N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide (PubChem CID 125169295) 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]-3-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide
PubChem CID125169295
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1CCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H25ClN4O/c1-15-8-10-22-24(15)13-9-19(25)21-14-18(23-11-2-3-12-23)16-4-6-17(20)7-5-16/h4-8,10,18H,2-3,9,11-14H2,1H3,(H,21,25)/t18-/m1/s1
InChIKeyDLXDXZGGJVRWHB-GOSISDBHSA-N
XLogP3.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
CID 125157433
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
CID 125445949
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide
CID 118773901
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]pentanamide
CID 60597314
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
CID 118768790
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
2-(4-chlorophenyl)-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]acetamide
CID 7496263
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 47459894
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 112504356
2-(4-chlorophenyl)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 40897308

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide (CID 125169295) is N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1CCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is DLXDXZGGJVRWHB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-15-8-10-22-24(15)13-9-19(25)21-14-18(23-11-2-3-12-23)16-4-6-17(20)7-5-16/h4-8,10,18H,2-3,9,11-14H2,1H3,(H,21,25)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide?
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 360.89 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 125169295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).