N-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide

C17H15N7O — CID 166357436

IUPACN-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)cc1C1CC1
InChIInChI=1S/C17H15N7O/c1-24-14(11-5-6-11)8-13(23-24)16(25)20-17-19-15(21-22-17)12-4-2-3-10(7-12)9-18/h2-4,7-8,11H,5-6H2,1H3,(H2,19,20,21,22,25)
InChIKeyCKZAJXDUTDEVMR-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.21
Rot. Bonds4

About N-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide

N-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide (PubChem CID 166357436) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
PubChem CID166357436
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC NameN-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)cc1C1CC1
InChIInChI=1S/C17H15N7O/c1-24-14(11-5-6-11)8-13(23-24)16(25)20-17-19-15(21-22-17)12-4-2-3-10(7-12)9-18/h2-4,7-8,11H,5-6H2,1H3,(H2,19,20,21,22,25)
InChIKeyCKZAJXDUTDEVMR-UHFFFAOYSA-N
XLogP2.21
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide (CID 166357436) is N-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)cc1C1CC1.
What is the InChIKey of N-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
The InChIKey is CKZAJXDUTDEVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-24-14(11-5-6-11)8-13(23-24)16(25)20-17-19-15(21-22-17)12-4-2-3-10(7-12)9-18/h2-4,7-8,11H,5-6H2,1H3,(H2,19,20,21,22,25).
What are the key properties of N-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide?
N-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyanophenyl)-1H-1,2,4-triazol-3-yl]-5-cyclopropyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166357436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).