2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide

C14H15N7O — CID 121195982

IUPAC2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cn(-c3ccncc3)nn2)n(C)n1
InChIInChI=1S/C14H15N7O/c1-10-7-13(20(2)18-10)14(22)16-8-11-9-21(19-17-11)12-3-5-15-6-4-12/h3-7,9H,8H2,1-2H3,(H,16,22)
InChIKeyOJMQJHPHOIEEHN-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.63
Rot. Bonds4

About 2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide

2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 121195982) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID121195982
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCc2cn(-c3ccncc3)nn2)n(C)n1
InChIInChI=1S/C14H15N7O/c1-10-7-13(20(2)18-10)14(22)16-8-11-9-21(19-17-11)12-3-5-15-6-4-12/h3-7,9H,8H2,1-2H3,(H,16,22)
InChIKeyOJMQJHPHOIEEHN-UHFFFAOYSA-N
XLogP0.63
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide (CID 121195982) is 2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCc2cn(-c3ccncc3)nn2)n(C)n1.
What is the InChIKey of 2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is OJMQJHPHOIEEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c1-10-7-13(20(2)18-10)14(22)16-8-11-9-21(19-17-11)12-3-5-15-6-4-12/h3-7,9H,8H2,1-2H3,(H,16,22).
What are the key properties of 2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 121195982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).