(1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol

C20H23FN4O — CID 164719397

IUPAC(1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1nccc1Cc1cc(CC2CC2)n(C)n1
InChIInChI=1S/C20H23FN4O/c1-13(26)19-10-15(21)5-6-20(19)25-17(7-8-22-25)11-16-12-18(24(2)23-16)9-14-3-4-14/h5-8,10,12-14,26H,3-4,9,11H2,1-2H3/t13-/m1/s1
InChIKeyODHBDIRSOMLZQG-CYBMUJFWSA-N
MW354.43 g/mol
LogP3.34
Rot. Bonds6

About (1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol

(1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 164719397) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is (1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
PubChem CID164719397
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name(1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1nccc1Cc1cc(CC2CC2)n(C)n1
InChIInChI=1S/C20H23FN4O/c1-13(26)19-10-15(21)5-6-20(19)25-17(7-8-22-25)11-16-12-18(24(2)23-16)9-14-3-4-14/h5-8,10,12-14,26H,3-4,9,11H2,1-2H3/t13-/m1/s1
InChIKeyODHBDIRSOMLZQG-CYBMUJFWSA-N
XLogP3.34
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol (CID 164719397) is (1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol is C[C@@H](O)c1cc(F)ccc1-n1nccc1Cc1cc(CC2CC2)n(C)n1.
What is the InChIKey of (1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
The InChIKey is ODHBDIRSOMLZQG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-13(26)19-10-15(21)5-6-20(19)25-17(7-8-22-25)11-16-12-18(24(2)23-16)9-14-3-4-14/h5-8,10,12-14,26H,3-4,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
(1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 354.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[5-[[5-(cyclopropylmethyl)-1-methylpyrazol-3-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164719397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).