3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide

C16H20FN3O2 — CID 110416694

IUPAC3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCOC(C)C)[nH]n2)ccc1F
InChIInChI=1S/C16H20FN3O2/c1-10(2)22-7-6-18-16(21)15-9-14(19-20-15)12-4-5-13(17)11(3)8-12/h4-5,8-10H,6-7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyNFIHYZPLVKVBDH-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.68
Rot. Bonds6

About 3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide

3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide (PubChem CID 110416694) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide
PubChem CID110416694
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCCOC(C)C)[nH]n2)ccc1F
InChIInChI=1S/C16H20FN3O2/c1-10(2)22-7-6-18-16(21)15-9-14(19-20-15)12-4-5-13(17)11(3)8-12/h4-5,8-10H,6-7H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyNFIHYZPLVKVBDH-UHFFFAOYSA-N
XLogP2.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 110300163
3-(4-fluoro-3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 110307672
3-[4-(difluoromethoxy)phenyl]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
CID 19514379
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 110309072
N-(3-aminobutyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 119494892
4-(3-fluoro-4-hydroxyphenyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 118785542
3,4,5-trifluoro-N-(2-propan-2-yloxyethyl)benzamide
CID 104578530
3-(3,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918354
2-fluoro-5-[3-(2-propan-2-yloxyethylcarbamoyl)phenyl]benzamide
CID 122569346
4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide
CID 104758195
N-(3-amino-2-methylpropyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119997336
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514458

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide (CID 110416694) is 3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide is Cc1cc(-c2cc(C(=O)NCCOC(C)C)[nH]n2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is NFIHYZPLVKVBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10(2)22-7-6-18-16(21)15-9-14(19-20-15)12-4-5-13(17)11(3)8-12/h4-5,8-10H,6-7H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide?
3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 305.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 110416694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).