[1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol

C26H25F3N4O2 — CID 164719524

IUPAC[1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol
SMILESOC(c1cnn(CC2CC2)c1)c1cc(C(F)F)nn1-c1ccc(F)cc1COCc1ccccc1
InChIInChI=1S/C26H25F3N4O2/c27-21-8-9-23(19(10-21)16-35-15-18-4-2-1-3-5-18)33-24(11-22(31-33)26(28)29)25(34)20-12-30-32(14-20)13-17-6-7-17/h1-5,8-12,14,17,25-26,34H,6-7,13,15-16H2
InChIKeySQTHOHGMTCNTQS-UHFFFAOYSA-N
MW482.51 g/mol
LogP5.35
Rot. Bonds10

About [1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol

[1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol (PubChem CID 164719524) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol
PubChem CID164719524
Molecular FormulaC26H25F3N4O2
Molecular Weight482.51 g/mol
Exact Mass482.19
IUPAC Name[1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol
SMILESOC(c1cnn(CC2CC2)c1)c1cc(C(F)F)nn1-c1ccc(F)cc1COCc1ccccc1
InChIInChI=1S/C26H25F3N4O2/c27-21-8-9-23(19(10-21)16-35-15-18-4-2-1-3-5-18)33-24(11-22(31-33)26(28)29)25(34)20-12-30-32(14-20)13-17-6-7-17/h1-5,8-12,14,17,25-26,34H,6-7,13,15-16H2
InChIKeySQTHOHGMTCNTQS-UHFFFAOYSA-N
XLogP5.35
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-Fluorophenyl)-1-(2-hydroxyethyl)-4-pyridin-4-ylpyrazol-5-yl]-3-phenylpropan-1-ol
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cyclohexyl[1-(4-fluoro-2-methylphenyl)-3-methyl-1H-pyrazol-4-yl]methanol
CID 66777264
1-[1-(3-Fluorophenyl)-4-phenylpyrazol-3-yl]ethanol
CID 91043375
1-[1-(2,5-Difluorophenyl)-4-phenylpyrazol-3-yl]ethanol
CID 91125995
[4-Benzyl-1-(2,5-difluorophenyl)pyrazol-3-yl]methanol
CID 124091248
[1-[3-(hydroxymethyl)phenyl]-5-[(1R,2R)-2-[1-(2,2,2-trifluoroethyl)triazol-4-yl]cyclopropyl]pyrazol-4-yl]-methoxymethanol
CID 135135890
3-Ethyl-1-[2-[2-(4-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole
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3-Ethyl-1-[2-[2-(3-fluorophenyl)pyrazol-3-yl]oxan-4-yl]pyrazole
CID 141154258
[1-[[4-[[(2R,5S,8R,11S,14R,17S,20R,23S)-14-[[4-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]-4,8,10,16,20,22-hexamethyl-5,11,17,23-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracos-2-yl]methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]methanol
CID 155162786
[4-Fluoro-2-(trifluoromethyl)phenyl]-(2-methylpyrazol-3-yl)methanol;1-methylpyrazole
CID 159171380
(1-ethyltriazol-4-yl)-[1-[4-fluoro-2-[(1R)-1-[(4-methoxyphenyl)methoxy]ethyl]phenyl]-3-(trifluoromethyl)pyrazol-5-yl]methanol
CID 164718517

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol?
The IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol (CID 164719524) is [1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol.
What is the SMILES notation for [1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol?
The canonical SMILES for [1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol is OC(c1cnn(CC2CC2)c1)c1cc(C(F)F)nn1-c1ccc(F)cc1COCc1ccccc1.
What is the InChIKey of [1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol?
The InChIKey is SQTHOHGMTCNTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c27-21-8-9-23(19(10-21)16-35-15-18-4-2-1-3-5-18)33-24(11-22(31-33)26(28)29)25(34)20-12-30-32(14-20)13-17-6-7-17/h1-5,8-12,14,17,25-26,34H,6-7,13,15-16H2.
What are the key properties of [1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol?
[1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol has a molecular weight of 482.51 g/mol, XLogP of 5.35, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)pyrazol-4-yl]-[3-(difluoromethyl)-1-[4-fluoro-2-(phenylmethoxymethyl)phenyl]pyrazol-5-yl]methanol is sourced from PubChem (CID 164719524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).