N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide

C14H16FN3O2 — CID 71974057

IUPACN-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide
SMILESCCC(CNC(=O)c1ccn[nH]1)Oc1cccc(F)c1
InChIInChI=1S/C14H16FN3O2/c1-2-11(20-12-5-3-4-10(15)8-12)9-16-14(19)13-6-7-17-18-13/h3-8,11H,2,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyRVNVHBBFXKLUMH-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.14
Rot. Bonds6

About N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide

N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide (PubChem CID 71974057) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide
PubChem CID71974057
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide
SMILESCCC(CNC(=O)c1ccn[nH]1)Oc1cccc(F)c1
InChIInChI=1S/C14H16FN3O2/c1-2-11(20-12-5-3-4-10(15)8-12)9-16-14(19)13-6-7-17-18-13/h3-8,11H,2,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyRVNVHBBFXKLUMH-UHFFFAOYSA-N
XLogP2.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97018614
(2S)-2-(3-fluorophenoxy)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
CID 97022485
N-[(2R)-2-(3-fluorophenoxy)butyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 97255935
N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide
CID 97018596
1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 111974568
N-[(2R)-2-(3-fluorophenoxy)butyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 97016414
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
1-[2-(3-fluorophenoxy)butyl]-2,3-dimethylguanidine
CID 111970146
N-[2-[[N-[2-(3-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109475224
2-amino-N-[2-(3-fluorophenoxy)butyl]-2-phenylpropanamide
CID 120593918
N-[2-(3-fluorophenoxy)butyl]piperidine-2-carboxamide
CID 119340615
3-amino-N-[2-(3-fluorophenoxy)butyl]-3-phenylpropanamide;hydrochloride
CID 119952317

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide (CID 71974057) is N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide is CCC(CNC(=O)c1ccn[nH]1)Oc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide?
The InChIKey is RVNVHBBFXKLUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-2-11(20-12-5-3-4-10(15)8-12)9-16-14(19)13-6-7-17-18-13/h3-8,11H,2,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide?
N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71974057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).