3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide

C16H20ClN5O — CID 134037133

IUPAC3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN5O/c1-21(9-11-7-19-22(2)10-11)16(23)14-8-18-20-15(14)12-3-5-13(17)6-4-12/h3-7,10,14-15,18,20H,8-9H2,1-2H3
InChIKeyRGCDHXSCCXIVCD-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.50
Rot. Bonds4

About 3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide

3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide (PubChem CID 134037133) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
PubChem CID134037133
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
SMILESCN(Cc1cnn(C)c1)C(=O)C1CNNC1c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN5O/c1-21(9-11-7-19-22(2)10-11)16(23)14-8-18-20-15(14)12-3-5-13(17)6-4-12/h3-7,10,14-15,18,20H,8-9H2,1-2H3
InChIKeyRGCDHXSCCXIVCD-UHFFFAOYSA-N
XLogP1.50
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-3-phenylpyrazolidine-4-carboxamide
CID 134057083
N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 52990156
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-chlorophenyl)-N-methylpyrazolidine-4-carboxamide
CID 52990222
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide
CID 134057217
2-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 3361482
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026
(3R,4S)-N-[(4-ethylphenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918369
N-[3-(1-methylpyrazol-4-yl)propyl]-3-phenylpyrazolidine-4-carboxamide
CID 134079697
3,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31843005
4-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63784679
azepan-1-yl-[3-(4-chlorophenyl)pyrazolidin-4-yl]methanone
CID 134036153
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide (CID 134037133) is 3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide is CN(Cc1cnn(C)c1)C(=O)C1CNNC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide?
The InChIKey is RGCDHXSCCXIVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-21(9-11-7-19-22(2)10-11)16(23)14-8-18-20-15(14)12-3-5-13(17)6-4-12/h3-7,10,14-15,18,20H,8-9H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide?
3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 134037133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).