N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide

C17H22FN3O2 — CID 71848878

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(CC(C)C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c1-11(2)9-21(17(23)15-8-19-20-12(15)3)10-16(22)13-4-6-14(18)7-5-13/h4-8,11,16,22H,9-10H2,1-3H3,(H,19,20)
InChIKeyWFROQYDYDFHRRQ-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.69
Rot. Bonds6

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 71848878) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID71848878
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)N(CC(C)C)CC(O)c1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c1-11(2)9-21(17(23)15-8-19-20-12(15)3)10-16(22)13-4-6-14(18)7-5-13/h4-8,11,16,22H,9-10H2,1-3H3,(H,19,20)
InChIKeyWFROQYDYDFHRRQ-UHFFFAOYSA-N
XLogP2.69
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide (CID 71848878) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)N(CC(C)C)CC(O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is WFROQYDYDFHRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-11(2)9-21(17(23)15-8-19-20-12(15)3)10-16(22)13-4-6-14(18)7-5-13/h4-8,11,16,22H,9-10H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71848878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).