4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide

C17H14FN7O — CID 154856224

IUPAC4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide
SMILESN#Cc1cn[nH]c1C(=O)Nc1ccc(F)c(-c2cn(CC3CC3)nn2)c1
InChIInChI=1S/C17H14FN7O/c18-14-4-3-12(21-17(26)16-11(6-19)7-20-23-16)5-13(14)15-9-25(24-22-15)8-10-1-2-10/h3-5,7,9-10H,1-2,8H2,(H,20,23)(H,21,26)
InChIKeyBMSHQEPLEDCBHU-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.34
Rot. Bonds5

About 4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide

4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide (PubChem CID 154856224) has the molecular formula C17H14FN7O and a molecular weight of 351.35 g/mol. Its IUPAC name is 4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide
PubChem CID154856224
Molecular FormulaC17H14FN7O
Molecular Weight351.35 g/mol
Exact Mass351.12
IUPAC Name4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide
SMILESN#Cc1cn[nH]c1C(=O)Nc1ccc(F)c(-c2cn(CC3CC3)nn2)c1
InChIInChI=1S/C17H14FN7O/c18-14-4-3-12(21-17(26)16-11(6-19)7-20-23-16)5-13(14)15-9-25(24-22-15)8-10-1-2-10/h3-5,7,9-10H,1-2,8H2,(H,20,23)(H,21,26)
InChIKeyBMSHQEPLEDCBHU-UHFFFAOYSA-N
XLogP2.34
TPSA112.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide (CID 154856224) is 4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide is N#Cc1cn[nH]c1C(=O)Nc1ccc(F)c(-c2cn(CC3CC3)nn2)c1.
What is the InChIKey of 4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is BMSHQEPLEDCBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7O/c18-14-4-3-12(21-17(26)16-11(6-19)7-20-23-16)5-13(14)15-9-25(24-22-15)8-10-1-2-10/h3-5,7,9-10H,1-2,8H2,(H,20,23)(H,21,26).
What are the key properties of 4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide?
4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 351.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-[1-(cyclopropylmethyl)triazol-4-yl]-4-fluorophenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 154856224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).