N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide

C21H23N5O — CID 52990156

IUPACN-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CNNC1c1ccccc1
InChIInChI=1S/C21H23N5O/c1-25(14-16-12-23-26(15-16)18-10-6-3-7-11-18)21(27)19-13-22-24-20(19)17-8-4-2-5-9-17/h2-12,15,19-20,22,24H,13-14H2,1H3
InChIKeyXLCDDADRJLPKIT-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.30
Rot. Bonds5

About N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide

N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide (PubChem CID 52990156) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
PubChem CID52990156
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CNNC1c1ccccc1
InChIInChI=1S/C21H23N5O/c1-25(14-16-12-23-26(15-16)18-10-6-3-7-11-18)21(27)19-13-22-24-20(19)17-8-4-2-5-9-17/h2-12,15,19-20,22,24H,13-14H2,1H3
InChIKeyXLCDDADRJLPKIT-UHFFFAOYSA-N
XLogP2.30
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134037133
(1R,5R,6R)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-azabicyclo[3.2.0]heptane-6-carboxamide
CID 139020507
N-[(4-chlorophenyl)methyl]-N-methyl-3-phenylpyrazolidine-4-carboxamide
CID 134057083
N-methyl-1-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 30039620
3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpyrazolidine-4-carboxamide
CID 134057217
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 119694754
(3S)-N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide
CID 8962417
(2R,3S)-N,2-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 120920037
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
methyl (2S)-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]piperidine-1-carboxylate
CID 97206029

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide?
The IUPAC name of N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide (CID 52990156) is N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide?
The canonical SMILES for N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1CNNC1c1ccccc1.
What is the InChIKey of N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide?
The InChIKey is XLCDDADRJLPKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25(14-16-12-23-26(15-16)18-10-6-3-7-11-18)21(27)19-13-22-24-20(19)17-8-4-2-5-9-17/h2-12,15,19-20,22,24H,13-14H2,1H3.
What are the key properties of N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide?
N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 52990156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).