N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide

C15H18FN3O2 — CID 97018614

IUPACN-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCC[C@H](CNC(=O)c1cn[nH]c1C)Oc1cccc(F)c1
InChIInChI=1S/C15H18FN3O2/c1-3-12(21-13-6-4-5-11(16)7-13)8-17-15(20)14-9-18-19-10(14)2/h4-7,9,12H,3,8H2,1-2H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyKDMUDVJRGXRFGK-GFCCVEGCSA-N
MW291.33 g/mol
LogP2.44
Rot. Bonds6

About N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 97018614) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID97018614
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCC[C@H](CNC(=O)c1cn[nH]c1C)Oc1cccc(F)c1
InChIInChI=1S/C15H18FN3O2/c1-3-12(21-13-6-4-5-11(16)7-13)8-17-15(20)14-9-18-19-10(14)2/h4-7,9,12H,3,8H2,1-2H3,(H,17,20)(H,18,19)/t12-/m1/s1
InChIKeyKDMUDVJRGXRFGK-GFCCVEGCSA-N
XLogP2.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluorophenoxy)butyl]-1H-pyrazole-5-carboxamide
CID 71974057
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
N-[(2R)-2-(3-fluorophenoxy)butyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 97016414
1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 111974568
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
2-fluoro-N-[2-[[N-[2-(3-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 109475813
(2S)-2-(3-fluorophenoxy)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
CID 97022485
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
1-[2-(3-fluorophenoxy)butyl]-2,3-dimethylguanidine
CID 111970146
2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65218133
N-ethyl-3-[[ethylamino-[2-(3-fluorophenoxy)butylamino]methylidene]amino]-2,2-dimethylpropanamide
CID 109476115

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 97018614) is N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide is CC[C@H](CNC(=O)c1cn[nH]c1C)Oc1cccc(F)c1.
What is the InChIKey of N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is KDMUDVJRGXRFGK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-3-12(21-13-6-4-5-11(16)7-13)8-17-15(20)14-9-18-19-10(14)2/h4-7,9,12H,3,8H2,1-2H3,(H,17,20)(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97018614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).