N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide

C16H19FN4O3 — CID 167933715

IUPACN-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCOc1c(NC(=O)c2cc(C)nn2C2CCOCC2)ccnc1F
InChIInChI=1S/C16H19FN4O3/c1-10-9-13(21(20-10)11-4-7-24-8-5-11)16(22)19-12-3-6-18-15(17)14(12)23-2/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,18,19,22)
InChIKeyPIBUPZPOZHEVEZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP2.34
Rot. Bonds4

About N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide

N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide (PubChem CID 167933715) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
PubChem CID167933715
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
SMILESCOc1c(NC(=O)c2cc(C)nn2C2CCOCC2)ccnc1F
InChIInChI=1S/C16H19FN4O3/c1-10-9-13(21(20-10)11-4-7-24-8-5-11)16(22)19-12-3-6-18-15(17)14(12)23-2/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,18,19,22)
InChIKeyPIBUPZPOZHEVEZ-UHFFFAOYSA-N
XLogP2.34
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
CID 166245926
N-[(2R)-2-(5-chloro-2-methoxyphenyl)-2-hydroxyethyl]-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide
CID 164641744
[7-methoxy-1-(oxan-4-yl)indazol-6-yl]carbamic acid
CID 174225986
methyl 3-methylsulfanyl-1-(oxan-4-yl)pyrazole-5-carboxylate
CID 139229088
N-(3-methoxy-2-methyl-4-pyridinyl)-4-(morpholine-4-carbonyl)benzamide
CID 157018336
2-cyclobutyl-N-[3-(2,2-difluorocyclopropyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 167793055
3-methyl-1-(oxan-4-yl)-5-propan-2-ylpyrazole
CID 122630976
5-ethyl-3-methyl-1-(oxan-4-yl)pyrazole
CID 170965692
N-(2-cyclopentylpyrazol-3-yl)-3,4,5-trimethoxybenzamide
CID 8781434
2-cyclopropyl-N-(5-fluoropyrimidin-2-yl)-N,5-dimethylpyrazole-3-carboxamide
CID 166310810
2-(3,5-dimethylpyrazol-1-yl)-N-[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]acetamide
CID 138036914
2,3-difluoro-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
CID 105380636

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide (CID 167933715) is N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide is COc1c(NC(=O)c2cc(C)nn2C2CCOCC2)ccnc1F.
What is the InChIKey of N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
The InChIKey is PIBUPZPOZHEVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3/c1-10-9-13(21(20-10)11-4-7-24-8-5-11)16(22)19-12-3-6-18-15(17)14(12)23-2/h3,6,9,11H,4-5,7-8H2,1-2H3,(H,18,19,22).
What are the key properties of N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide?
N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methoxy-4-pyridinyl)-5-methyl-2-(oxan-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 167933715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).