1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide

C16H18FN7O — CID 86816453

IUPAC1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(C)c2nn[nH]n2)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN7O/c1-10(15-18-21-22-19-15)9-23(3)16(25)14-8-11(2)24(20-14)13-6-4-12(17)5-7-13/h4-8,10H,9H2,1-3H3,(H,18,19,21,22)
InChIKeyPQYIYXJGGVETJN-UHFFFAOYSA-N
MW343.37 g/mol
LogP1.71
Rot. Bonds5

About 1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide (PubChem CID 86816453) has the molecular formula C16H18FN7O and a molecular weight of 343.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
PubChem CID86816453
Molecular FormulaC16H18FN7O
Molecular Weight343.37 g/mol
Exact Mass343.16
IUPAC Name1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC(C)c2nn[nH]n2)nn1-c1ccc(F)cc1
InChIInChI=1S/C16H18FN7O/c1-10(15-18-21-22-19-15)9-23(3)16(25)14-8-11(2)24(20-14)13-6-4-12(17)5-7-13/h4-8,10H,9H2,1-3H3,(H,18,19,21,22)
InChIKeyPQYIYXJGGVETJN-UHFFFAOYSA-N
XLogP1.71
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide (CID 86816453) is 1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)CC(C)c2nn[nH]n2)nn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is PQYIYXJGGVETJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN7O/c1-10(15-18-21-22-19-15)9-23(3)16(25)14-8-11(2)24(20-14)13-6-4-12(17)5-7-13/h4-8,10H,9H2,1-3H3,(H,18,19,21,22).
What are the key properties of 1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 343.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 86816453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).