1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide

C12H20N4O — CID 107422588

IUPAC1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1(C)CCNC1
InChIInChI=1S/C12H20N4O/c1-8-10(9(2)16(4)15-8)11(17)14-12(3)5-6-13-7-12/h13H,5-7H2,1-4H3,(H,14,17)
InChIKeyUUOSMFZNSMVAOO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.52
Rot. Bonds2

About 1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide

1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide (PubChem CID 107422588) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
PubChem CID107422588
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)NC1(C)CCNC1
InChIInChI=1S/C12H20N4O/c1-8-10(9(2)16(4)15-8)11(17)14-12(3)5-6-13-7-12/h13H,5-7H2,1-4H3,(H,14,17)
InChIKeyUUOSMFZNSMVAOO-UHFFFAOYSA-N
XLogP0.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide (CID 107422588) is 1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)NC1(C)CCNC1.
What is the InChIKey of 1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is UUOSMFZNSMVAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-10(9(2)16(4)15-8)11(17)14-12(3)5-6-13-7-12/h13H,5-7H2,1-4H3,(H,14,17).
What are the key properties of 1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide?
1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(3-methylpyrrolidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 107422588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).