N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide

C11H18N4O — CID 103811485

IUPACN-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1(C)CCNC1
InChIInChI=1S/C11H18N4O/c1-8-9(6-15(3)14-8)13-10(16)11(2)4-5-12-7-11/h6,12H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyROLVKWNAKJRLQW-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.67
Rot. Bonds2

About N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide

N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 103811485) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide
PubChem CID103811485
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide
SMILESCc1nn(C)cc1NC(=O)C1(C)CCNC1
InChIInChI=1S/C11H18N4O/c1-8-9(6-15(3)14-8)13-10(16)11(2)4-5-12-7-11/h6,12H,4-5,7H2,1-3H3,(H,13,16)
InChIKeyROLVKWNAKJRLQW-UHFFFAOYSA-N
XLogP0.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide (CID 103811485) is N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide is Cc1nn(C)cc1NC(=O)C1(C)CCNC1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is ROLVKWNAKJRLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-9(6-15(3)14-8)13-10(16)11(2)4-5-12-7-11/h6,12H,4-5,7H2,1-3H3,(H,13,16).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide?
N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 103811485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).