3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide

C20H22FN5O2 — CID 90622240

IUPAC3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C20H22FN5O2/c1-25-19(10-18(24-25)15-2-4-16(21)5-3-15)20(27)23-17-11-22-26(13-17)12-14-6-8-28-9-7-14/h2-5,10-11,13-14H,6-9,12H2,1H3,(H,23,27)
InChIKeyCMUUCQGPCIJKHU-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.10
Rot. Bonds5

About 3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide (PubChem CID 90622240) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
PubChem CID90622240
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cnn(CC2CCOCC2)c1
InChIInChI=1S/C20H22FN5O2/c1-25-19(10-18(24-25)15-2-4-16(21)5-3-15)20(27)23-17-11-22-26(13-17)12-14-6-8-28-9-7-14/h2-5,10-11,13-14H,6-9,12H2,1H3,(H,23,27)
InChIKeyCMUUCQGPCIJKHU-UHFFFAOYSA-N
XLogP3.10
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-1-methyl-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 129355863
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137
N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122301993
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622367
3-(3-methoxyphenyl)-1-methyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 129355197
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 90622320
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-pentan-3-ylurea
CID 90622354
2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622077
3-(4-fluorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 174832317

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide (CID 90622240) is 3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1cnn(CC2CCOCC2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is CMUUCQGPCIJKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-25-19(10-18(24-25)15-2-4-16(21)5-3-15)20(27)23-17-11-22-26(13-17)12-14-6-8-28-9-7-14/h2-5,10-11,13-14H,6-9,12H2,1H3,(H,23,27).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 90622240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).