4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide

C11H13N5O — CID 65355663

IUPAC4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide
SMILESCc1ccnc(NC(=O)c2c(N)cnn2C)c1
InChIInChI=1S/C11H13N5O/c1-7-3-4-13-9(5-7)15-11(17)10-8(12)6-14-16(10)2/h3-6H,12H2,1-2H3,(H,13,15,17)
InChIKeyYPTWWSRBWOJOSZ-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.96
Rot. Bonds2

About 4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide

4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide (PubChem CID 65355663) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide
PubChem CID65355663
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide
SMILESCc1ccnc(NC(=O)c2c(N)cnn2C)c1
InChIInChI=1S/C11H13N5O/c1-7-3-4-13-9(5-7)15-11(17)10-8(12)6-14-16(10)2/h3-6H,12H2,1-2H3,(H,13,15,17)
InChIKeyYPTWWSRBWOJOSZ-UHFFFAOYSA-N
XLogP0.96
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide (CID 65355663) is 4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide is Cc1ccnc(NC(=O)c2c(N)cnn2C)c1.
What is the InChIKey of 4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide?
The InChIKey is YPTWWSRBWOJOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7-3-4-13-9(5-7)15-11(17)10-8(12)6-14-16(10)2/h3-6H,12H2,1-2H3,(H,13,15,17).
What are the key properties of 4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide?
4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide is sourced from PubChem (CID 65355663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).