(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

C16H18Cl2N4O — CID 126429505

IUPAC(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C16H18Cl2N4O/c17-13-5-4-12(15(18)9-13)10-19-16(23)22-8-1-3-14(22)11-21-7-2-6-20-21/h2,4-7,9,14H,1,3,8,10-11H2,(H,19,23)/t14-/m1/s1
InChIKeyBNUWRAQNMWESBG-CQSZACIVSA-N
MW353.25 g/mol
LogP3.56
Rot. Bonds4

About (2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 126429505) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is (2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID126429505
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC Name(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)N1CCC[C@@H]1Cn1cccn1
InChIInChI=1S/C16H18Cl2N4O/c17-13-5-4-12(15(18)9-13)10-19-16(23)22-8-1-3-14(22)11-21-7-2-6-20-21/h2,4-7,9,14H,1,3,8,10-11H2,(H,19,23)/t14-/m1/s1
InChIKeyBNUWRAQNMWESBG-CQSZACIVSA-N
XLogP3.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-amino-2-oxoethyl)-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126431385
(2R)-N-[(4-chloro-2-fluorophenyl)methyl]-2-(imidazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 124619820
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126434676
(2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 125442613
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
N-[(2,4-dichlorophenyl)methyl]-2-[[[(1R,7S)-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]carbamoylamino]methyl]pyrrolidine-1-carboxamide
CID 70267659
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 121499385
(4-chloro-1H-pyrrol-2-yl)-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95344276
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126425791
2-(pyrazol-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 118771911
(3R)-3-amino-N-[(2,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 126422673
2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603521

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (CID 126429505) is (2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)N1CCC[C@@H]1Cn1cccn1.
What is the InChIKey of (2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is BNUWRAQNMWESBG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c17-13-5-4-12(15(18)9-13)10-19-16(23)22-8-1-3-14(22)11-21-7-2-6-20-21/h2,4-7,9,14H,1,3,8,10-11H2,(H,19,23)/t14-/m1/s1.
What are the key properties of (2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126429505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).