(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol

C21H25FN4O2 — CID 164719230

IUPAC(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCOc1cc(Cc2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2[C@@H](C)O)n1
InChIInChI=1S/C21H25FN4O2/c1-13-16(12-25(23-13)11-15-4-5-15)8-18-10-21(28-3)24-26(18)20-7-6-17(22)9-19(20)14(2)27/h6-7,9-10,12,14-15,27H,4-5,8,11H2,1-3H3/t14-/m1/s1
InChIKeyYZYUFQDTTVUSQM-CQSZACIVSA-N
MW384.46 g/mol
LogP3.58
Rot. Bonds7

About (1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol

(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 164719230) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is (1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol
PubChem CID164719230
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESCOc1cc(Cc2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2[C@@H](C)O)n1
InChIInChI=1S/C21H25FN4O2/c1-13-16(12-25(23-13)11-15-4-5-15)8-18-10-21(28-3)24-26(18)20-7-6-17(22)9-19(20)14(2)27/h6-7,9-10,12,14-15,27H,4-5,8,11H2,1-3H3/t14-/m1/s1
InChIKeyYZYUFQDTTVUSQM-CQSZACIVSA-N
XLogP3.58
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol (CID 164719230) is (1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol is COc1cc(Cc2cn(CC3CC3)nc2C)n(-c2ccc(F)cc2[C@@H](C)O)n1.
What is the InChIKey of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol?
The InChIKey is YZYUFQDTTVUSQM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-13-16(12-25(23-13)11-15-4-5-15)8-18-10-21(28-3)24-26(18)20-7-6-17(22)9-19(20)14(2)27/h6-7,9-10,12,14-15,27H,4-5,8,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol?
(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 384.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methoxypyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164719230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).