N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide

C18H24N4O — CID 136533373

IUPACN-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1(C)CCCN1Cc1ccccc1
InChIInChI=1S/C18H24N4O/c1-18(14-19-17(23)16-9-11-20-21(16)2)10-6-12-22(18)13-15-7-4-3-5-8-15/h3-5,7-9,11H,6,10,12-14H2,1-2H3,(H,19,23)
InChIKeyPVIQPWAGEUERJA-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.20
Rot. Bonds5

About N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide

N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide (PubChem CID 136533373) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide
PubChem CID136533373
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NCC1(C)CCCN1Cc1ccccc1
InChIInChI=1S/C18H24N4O/c1-18(14-19-17(23)16-9-11-20-21(16)2)10-6-12-22(18)13-15-7-4-3-5-8-15/h3-5,7-9,11H,6,10,12-14H2,1-2H3,(H,19,23)
InChIKeyPVIQPWAGEUERJA-UHFFFAOYSA-N
XLogP2.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1-methylpyrazol-4-yl)urea
CID 99702276
1-[[(2S)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-methoxyurea
CID 99703649
1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea
CID 99823025
2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
N-[4-[(1-benzyl-2-methylpyrrolidin-2-yl)methylamino]cyclohexyl]acetamide
CID 119034343
4-[(2-benzyl-2-methylpyrrolidin-1-yl)methyl]benzoic acid
CID 122032957
(3aS,6aR)-2-[(1-benzyl-2-methylpyrrolidin-2-yl)methylcarbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122010859
[(2R)-1-benzyl-2-methylpiperidin-2-yl]methanol
CID 97184583
3-[[(2-methylpyrazole-3-carbonyl)amino]methyl]benzoic acid
CID 60894251
N-[(4,4-dimethylcyclohexyl)methyl]-2-methylpyrazole-3-carboxamide
CID 166874447
N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide
CID 131949973
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 95043723

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide (CID 136533373) is N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)NCC1(C)CCCN1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is PVIQPWAGEUERJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(14-19-17(23)16-9-11-20-21(16)2)10-6-12-22(18)13-15-7-4-3-5-8-15/h3-5,7-9,11H,6,10,12-14H2,1-2H3,(H,19,23).
What are the key properties of N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide?
N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-2-methylpyrrolidin-2-yl)methyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 136533373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).