(1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol

C18H19ClFN5O — CID 164719304

IUPAC(1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1nc(Cl)cc1Cc1cn(CC2CC2)nn1
InChIInChI=1S/C18H19ClFN5O/c1-11(26)16-6-13(20)4-5-17(16)25-15(8-18(19)22-25)7-14-10-24(23-21-14)9-12-2-3-12/h4-6,8,10-12,26H,2-3,7,9H2,1H3/t11-/m1/s1
InChIKeyRBLBXVSUMKACPR-LLVKDONJSA-N
MW375.84 g/mol
LogP3.31
Rot. Bonds6

About (1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol

(1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol (PubChem CID 164719304) has the molecular formula C18H19ClFN5O and a molecular weight of 375.84 g/mol. Its IUPAC name is (1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
PubChem CID164719304
Molecular FormulaC18H19ClFN5O
Molecular Weight375.84 g/mol
Exact Mass375.13
IUPAC Name(1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol
SMILESC[C@@H](O)c1cc(F)ccc1-n1nc(Cl)cc1Cc1cn(CC2CC2)nn1
InChIInChI=1S/C18H19ClFN5O/c1-11(26)16-6-13(20)4-5-17(16)25-15(8-18(19)22-25)7-14-10-24(23-21-14)9-12-2-3-12/h4-6,8,10-12,26H,2-3,7,9H2,1H3/t11-/m1/s1
InChIKeyRBLBXVSUMKACPR-LLVKDONJSA-N
XLogP3.31
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
The IUPAC name of (1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol (CID 164719304) is (1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol is C[C@@H](O)c1cc(F)ccc1-n1nc(Cl)cc1Cc1cn(CC2CC2)nn1.
What is the InChIKey of (1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
The InChIKey is RBLBXVSUMKACPR-LLVKDONJSA-N. The full InChI is InChI=1S/C18H19ClFN5O/c1-11(26)16-6-13(20)4-5-17(16)25-15(8-18(19)22-25)7-14-10-24(23-21-14)9-12-2-3-12/h4-6,8,10-12,26H,2-3,7,9H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol?
(1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol has a molecular weight of 375.84 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[3-chloro-5-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]pyrazol-1-yl]-5-fluorophenyl]ethanol is sourced from PubChem (CID 164719304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).