N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide

C15H18FN3O2 — CID 97018596

IUPACN-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide
SMILESCC[C@@H](CNC(=O)c1cnn(C)c1)Oc1cccc(F)c1
InChIInChI=1S/C15H18FN3O2/c1-3-13(21-14-6-4-5-12(16)7-14)9-17-15(20)11-8-18-19(2)10-11/h4-8,10,13H,3,9H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyNSEXVOOTJWNHRA-ZDUSSCGKSA-N
MW291.33 g/mol
LogP2.15
Rot. Bonds6

About N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide

N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide (PubChem CID 97018596) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide
PubChem CID97018596
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide
SMILESCC[C@@H](CNC(=O)c1cnn(C)c1)Oc1cccc(F)c1
InChIInChI=1S/C15H18FN3O2/c1-3-13(21-14-6-4-5-12(16)7-14)9-17-15(20)11-8-18-19(2)10-11/h4-8,10,13H,3,9H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyNSEXVOOTJWNHRA-ZDUSSCGKSA-N
XLogP2.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(3-fluorophenoxy)butyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97018614
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-[(2R)-2-(3-fluorophenoxy)butyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 97016414
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1-methylpyrazole-4-carboxamide
CID 111110961
1-[2-(3-fluorophenoxy)butyl]-3-(1-hydroxybutan-2-yl)urea
CID 111974568
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
N-[2-(3-fluorophenoxy)butyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111974572
1-[2-(3-fluorophenoxy)butyl]-2,3-dimethylguanidine
CID 111970146
N-[(2R)-2-(3-fluorophenoxy)butyl]-2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine-7-carboxamide
CID 125131110
1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 109475597
2-fluoro-N-[2-[[N-[2-(3-fluorophenoxy)butyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 109475813

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide (CID 97018596) is N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide is CC[C@@H](CNC(=O)c1cnn(C)c1)Oc1cccc(F)c1.
What is the InChIKey of N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is NSEXVOOTJWNHRA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-3-13(21-14-6-4-5-12(16)7-14)9-17-15(20)11-8-18-19(2)10-11/h4-8,10,13H,3,9H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide?
N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 291.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-fluorophenoxy)butyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 97018596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).