(1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol

C14H15N5O — CID 99624514

IUPAC(1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol
SMILESC[C@H](O)c1ccn(Cc2ncn(-c3ccccc3)n2)n1
InChIInChI=1S/C14H15N5O/c1-11(20)13-7-8-18(16-13)9-14-15-10-19(17-14)12-5-3-2-4-6-12/h2-8,10-11,20H,9H2,1H3/t11-/m0/s1
InChIKeyRTCANIVITUYTRY-NSHDSACASA-N
MW269.31 g/mol
LogP1.57
Rot. Bonds4

About (1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol

(1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol (PubChem CID 99624514) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is (1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol
PubChem CID99624514
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name(1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol
SMILESC[C@H](O)c1ccn(Cc2ncn(-c3ccccc3)n2)n1
InChIInChI=1S/C14H15N5O/c1-11(20)13-7-8-18(16-13)9-14-15-10-19(17-14)12-5-3-2-4-6-12/h2-8,10-11,20H,9H2,1H3/t11-/m0/s1
InChIKeyRTCANIVITUYTRY-NSHDSACASA-N
XLogP1.57
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-3-(triazol-1-ylmethyl)-1,2,4-triazole
CID 86816522
6-acetyl-2-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyridazin-3-one
CID 99844192
1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol
CID 126835821
(1R)-1-[4-[(1-phenyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-1-ol
CID 97157400
(2S)-1,1,1-trifluoro-3-[(1-phenyl-1,2,4-triazol-3-yl)methylsulfanyl]propan-2-ol
CID 99832805
(1S)-1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrazol-3-yl]ethanol
CID 99624009
4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105091442
N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine
CID 105145918
1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 75398987
(2R)-1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 97158502
1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]-4-(triazol-1-yl)piperidine
CID 75472900
2-(4-methyl-1,3-thiazol-2-yl)-N-[(1-phenyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 138035698

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol?
The IUPAC name of (1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol (CID 99624514) is (1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol is C[C@H](O)c1ccn(Cc2ncn(-c3ccccc3)n2)n1.
What is the InChIKey of (1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol?
The InChIKey is RTCANIVITUYTRY-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N5O/c1-11(20)13-7-8-18(16-13)9-14-15-10-19(17-14)12-5-3-2-4-6-12/h2-8,10-11,20H,9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol?
(1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol has a molecular weight of 269.31 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[(1-phenyl-1,2,4-triazol-3-yl)methyl]pyrazol-3-yl]ethanol is sourced from PubChem (CID 99624514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).