1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide

C18H17FN4O2 — CID 75520053

IUPAC1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1ccc(C(=O)NCCOc2cccnc2)n1
InChIInChI=1S/C18H17FN4O2/c1-13-11-14(19)4-5-17(13)23-9-6-16(22-23)18(24)21-8-10-25-15-3-2-7-20-12-15/h2-7,9,11-12H,8,10H2,1H3,(H,21,24)
InChIKeyYRHMVCBNTRPFJN-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.52
Rot. Bonds6

About 1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide

1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide (PubChem CID 75520053) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide
PubChem CID75520053
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide
SMILESCc1cc(F)ccc1-n1ccc(C(=O)NCCOc2cccnc2)n1
InChIInChI=1S/C18H17FN4O2/c1-13-11-14(19)4-5-17(13)23-9-6-16(22-23)18(24)21-8-10-25-15-3-2-7-20-12-15/h2-7,9,11-12H,8,10H2,1H3,(H,21,24)
InChIKeyYRHMVCBNTRPFJN-UHFFFAOYSA-N
XLogP2.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]heptanoic acid
CID 120524082
N-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 87073349
1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28974076
N-[2-(3,5-difluorophenoxy)ethyl]pyridine-3-carboxamide
CID 110481998
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide
CID 48652307
4-[[1-(4-fluoro-2-methylphenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524577
N-(1-carbamoylpyrrolidin-3-yl)-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
CID 86787736
methyl 1-(4-fluoro-2-methylphenyl)-4-oxopyridazine-3-carboxylate
CID 63953235
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38827016
1-methyl-5-oxo-N-(3-pyridin-3-yloxypropyl)-4H-1,2,4-triazole-3-carboxamide
CID 156584225
3-pyrazol-1-yl-N-(3-pyridin-3-yloxypropyl)benzamide
CID 70748016
2-propan-2-yl-N-(3-pyridin-3-yloxypropyl)pyrimidine-4-carboxamide
CID 119067728

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide (CID 75520053) is 1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide is Cc1cc(F)ccc1-n1ccc(C(=O)NCCOc2cccnc2)n1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide?
The InChIKey is YRHMVCBNTRPFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-13-11-14(19)4-5-17(13)23-9-6-16(22-23)18(24)21-8-10-25-15-3-2-7-20-12-15/h2-7,9,11-12H,8,10H2,1H3,(H,21,24).
What are the key properties of 1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide?
1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-N-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 75520053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).