N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

C15H17N7O — CID 71827884

IUPACN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)Cc1nc(NC(=O)c2cc(-c3cccnc3)n[nH]2)n[nH]1
InChIInChI=1S/C15H17N7O/c1-9(2)6-13-17-15(22-21-13)18-14(23)12-7-11(19-20-12)10-4-3-5-16-8-10/h3-5,7-9H,6H2,1-2H3,(H,19,20)(H2,17,18,21,22,23)
InChIKeyFBSBIZQJAUEKFI-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.04
Rot. Bonds5

About N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide

N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 71827884) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID71827884
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)Cc1nc(NC(=O)c2cc(-c3cccnc3)n[nH]2)n[nH]1
InChIInChI=1S/C15H17N7O/c1-9(2)6-13-17-15(22-21-13)18-14(23)12-7-11(19-20-12)10-4-3-5-16-8-10/h3-5,7-9H,6H2,1-2H3,(H,19,20)(H2,17,18,21,22,23)
InChIKeyFBSBIZQJAUEKFI-UHFFFAOYSA-N
XLogP2.04
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide (CID 71827884) is N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is CC(C)Cc1nc(NC(=O)c2cc(-c3cccnc3)n[nH]2)n[nH]1.
What is the InChIKey of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is FBSBIZQJAUEKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-9(2)6-13-17-15(22-21-13)18-14(23)12-7-11(19-20-12)10-4-3-5-16-8-10/h3-5,7-9H,6H2,1-2H3,(H,19,20)(H2,17,18,21,22,23).
What are the key properties of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide?
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-pyridin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71827884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).