1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol

C19H19F3N4O2 — CID 67954841

IUPAC1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol
SMILESCCC(O)c1cccnc1Oc1ccc2c(nnn2CC2CC2)c1C(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-2-14(27)12-4-3-9-23-18(12)28-15-8-7-13-17(16(15)19(20,21)22)24-25-26(13)10-11-5-6-11/h3-4,7-9,11,14,27H,2,5-6,10H2,1H3
InChIKeyQVFUILRBRAOLDV-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.49
Rot. Bonds6

About 1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol

1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol (PubChem CID 67954841) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol
PubChem CID67954841
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol
SMILESCCC(O)c1cccnc1Oc1ccc2c(nnn2CC2CC2)c1C(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-2-14(27)12-4-3-9-23-18(12)28-15-8-7-13-17(16(15)19(20,21)22)24-25-26(13)10-11-5-6-11/h3-4,7-9,11,14,27H,2,5-6,10H2,1H3
InChIKeyQVFUILRBRAOLDV-UHFFFAOYSA-N
XLogP4.49
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol?
The IUPAC name of 1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol (CID 67954841) is 1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol?
The canonical SMILES for 1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol is CCC(O)c1cccnc1Oc1ccc2c(nnn2CC2CC2)c1C(F)(F)F.
What is the InChIKey of 1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol?
The InChIKey is QVFUILRBRAOLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-2-14(27)12-4-3-9-23-18(12)28-15-8-7-13-17(16(15)19(20,21)22)24-25-26(13)10-11-5-6-11/h3-4,7-9,11,14,27H,2,5-6,10H2,1H3.
What are the key properties of 1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol?
1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol has a molecular weight of 392.38 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(cyclopropylmethyl)-4-(trifluoromethyl)benzotriazol-5-yl]oxy-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 67954841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).