4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide

C14H22FN3O2 — CID 154769968

IUPAC4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)OC1CCC(NC(=O)c2[nH]ncc2F)CC1
InChIInChI=1S/C14H22FN3O2/c1-14(2,3)20-10-6-4-9(5-7-10)17-13(19)12-11(15)8-16-18-12/h8-10H,4-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyMVVAGUYWRWFJHM-UHFFFAOYSA-N
MW283.35 g/mol
LogP2.40
Rot. Bonds3

About 4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide

4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 154769968) has the molecular formula C14H22FN3O2 and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID154769968
Molecular FormulaC14H22FN3O2
Molecular Weight283.35 g/mol
Exact Mass283.17
IUPAC Name4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCC(C)(C)OC1CCC(NC(=O)c2[nH]ncc2F)CC1
InChIInChI=1S/C14H22FN3O2/c1-14(2,3)20-10-6-4-9(5-7-10)17-13(19)12-11(15)8-16-18-12/h8-10H,4-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyMVVAGUYWRWFJHM-UHFFFAOYSA-N
XLogP2.40
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide (CID 154769968) is 4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide is CC(C)(C)OC1CCC(NC(=O)c2[nH]ncc2F)CC1.
What is the InChIKey of 4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is MVVAGUYWRWFJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O2/c1-14(2,3)20-10-6-4-9(5-7-10)17-13(19)12-11(15)8-16-18-12/h8-10H,4-7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide?
4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 154769968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).