N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide

C18H21ClN4O2 — CID 123141099

IUPACN-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCn1cc(CC(=O)N2CCCC2C(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H21ClN4O2/c1-22-12-14(11-21-22)9-17(24)23-8-2-3-16(23)18(25)20-10-13-4-6-15(19)7-5-13/h4-7,11-12,16H,2-3,8-10H2,1H3,(H,20,25)
InChIKeyBOMFSQJIBWBPJC-UHFFFAOYSA-N
MW360.85 g/mol
LogP1.92
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide

N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 123141099) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID123141099
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCn1cc(CC(=O)N2CCCC2C(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H21ClN4O2/c1-22-12-14(11-21-22)9-17(24)23-8-2-3-16(23)18(25)20-10-13-4-6-15(19)7-5-13/h4-7,11-12,16H,2-3,8-10H2,1H3,(H,20,25)
InChIKeyBOMFSQJIBWBPJC-UHFFFAOYSA-N
XLogP1.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 146357876
N-[(4-chlorophenyl)methyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 123556017
N-methyl-1-[2-(1-methylpyrazol-4-yl)acetyl]piperidine-2-carboxamide
CID 75369149
(2R)-1-[2-(4-chlorophenyl)acetyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 20973336
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 51094960
1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 155944780
2-(4-chlorophenyl)-1-[(2S)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94248357
2-(4-chlorophenyl)-1-[(2R)-2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 94248358
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-(1-methylpyrazol-4-yl)ethanone
CID 124595842
N-[(3,4-dihydroxyphenyl)methyl]-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 136521380
1-[(2E,4E)-5-chloro-2-ethylhepta-2,4,6-trienoyl]-N-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 146358188

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide (CID 123141099) is N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide is Cn1cc(CC(=O)N2CCCC2C(=O)NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is BOMFSQJIBWBPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-22-12-14(11-21-22)9-17(24)23-8-2-3-16(23)18(25)20-10-13-4-6-15(19)7-5-13/h4-7,11-12,16H,2-3,8-10H2,1H3,(H,20,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[2-(1-methylpyrazol-4-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123141099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).