1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide

C18H16FN5O2 — CID 134588716

IUPAC1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCOc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)cnn1
InChIInChI=1S/C18H16FN5O2/c1-26-16-10-12(11-20-22-16)24-9-6-15(23-24)21-17(25)18(7-8-18)13-4-2-3-5-14(13)19/h2-6,9-11H,7-8H2,1H3,(H,21,23,25)
InChIKeyMRFIJQAATMNUJV-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.48
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 134588716) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID134588716
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCOc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)cnn1
InChIInChI=1S/C18H16FN5O2/c1-26-16-10-12(11-20-22-16)24-9-6-15(23-24)21-17(25)18(7-8-18)13-4-2-3-5-14(13)19/h2-6,9-11H,7-8H2,1H3,(H,21,23,25)
InChIKeyMRFIJQAATMNUJV-UHFFFAOYSA-N
XLogP2.48
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596540
1-(2-fluorophenyl)-N-(1-pyridazin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134596121
1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134589060
1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596299
1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134588837
N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 135316111
N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596514
1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596476
1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134589053
N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589086
1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315834
1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 135315896

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide (CID 134588716) is 1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide is COc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)cnn1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is MRFIJQAATMNUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-26-16-10-12(11-20-22-16)24-9-6-15(23-24)21-17(25)18(7-8-18)13-4-2-3-5-14(13)19/h2-6,9-11H,7-8H2,1H3,(H,21,23,25).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134588716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).