2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide

C12H20N4O — CID 114217953

IUPAC2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(C)CCNC2)n(C)n1
InChIInChI=1S/C12H20N4O/c1-9-6-10(16(3)15-9)11(17)14-8-12(2)4-5-13-7-12/h6,13H,4-5,7-8H2,1-3H3,(H,14,17)
InChIKeyQYXDZQXNAYIJJS-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.46
Rot. Bonds3

About 2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 114217953) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID114217953
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(C)CCNC2)n(C)n1
InChIInChI=1S/C12H20N4O/c1-9-6-10(16(3)15-9)11(17)14-8-12(2)4-5-13-7-12/h6,13H,4-5,7-8H2,1-3H3,(H,14,17)
InChIKeyQYXDZQXNAYIJJS-UHFFFAOYSA-N
XLogP0.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 119404493
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449752
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 103970196
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66127121
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119447776
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440961
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 113400462
4-[(2,5-dimethylpyrazol-3-yl)methyl]-3,3-dimethylpiperidin-4-ol
CID 114235666
1-methyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-3-carboxamide
CID 103121074
5-fluoro-2-hydroxy-N-[(3-methylpyrrolidin-3-yl)methyl]benzamide
CID 114217968
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrrolidin-3-amine
CID 107424714

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide (CID 114217953) is 2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCC2(C)CCNC2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is QYXDZQXNAYIJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-6-10(16(3)15-9)11(17)14-8-12(2)4-5-13-7-12/h6,13H,4-5,7-8H2,1-3H3,(H,14,17).
What are the key properties of 2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(3-methylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 114217953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).