N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide

C20H24N6O — CID 166252628

IUPACN-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cc(C2CCCN2C)[nH]n1
InChIInChI=1S/C20H24N6O/c1-24-11-6-9-19(24)17-13-18(22-21-17)20(27)25(2)14-15-10-12-26(23-15)16-7-4-3-5-8-16/h3-5,7-8,10,12-13,19H,6,9,11,14H2,1-2H3,(H,21,22)
InChIKeyYTGJERZRUMGPCI-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.63
Rot. Bonds5

About N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide

N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 166252628) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID166252628
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cc(C2CCCN2C)[nH]n1
InChIInChI=1S/C20H24N6O/c1-24-11-6-9-19(24)17-13-18(22-21-17)20(27)25(2)14-15-10-12-26(23-15)16-7-4-3-5-8-16/h3-5,7-8,10,12-13,19H,6,9,11,14H2,1-2H3,(H,21,22)
InChIKeyYTGJERZRUMGPCI-UHFFFAOYSA-N
XLogP2.63
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide (CID 166252628) is N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide is CN(Cc1ccn(-c2ccccc2)n1)C(=O)c1cc(C2CCCN2C)[nH]n1.
What is the InChIKey of N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is YTGJERZRUMGPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-24-11-6-9-19(24)17-13-18(22-21-17)20(27)25(2)14-15-10-12-26(23-15)16-7-4-3-5-8-16/h3-5,7-8,10,12-13,19H,6,9,11,14H2,1-2H3,(H,21,22).
What are the key properties of N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide?
N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1-methylpyrrolidin-2-yl)-N-[(1-phenylpyrazol-3-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166252628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).