2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol

C10H13F6N3O — CID 83930186

IUPAC2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCn1nc(C(F)(F)F)c(CC(CN)CO)c1C(F)(F)F
InChIInChI=1S/C10H13F6N3O/c1-19-8(10(14,15)16)6(2-5(3-17)4-20)7(18-19)9(11,12)13/h5,20H,2-4,17H2,1H3
InChIKeyUJKCZJNPTCSTOG-UHFFFAOYSA-N
MW305.22 g/mol
LogP1.57
Rot. Bonds4

About 2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol

2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol (PubChem CID 83930186) has the molecular formula C10H13F6N3O and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol
PubChem CID83930186
Molecular FormulaC10H13F6N3O
Molecular Weight305.22 g/mol
Exact Mass305.10
IUPAC Name2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol
SMILESCn1nc(C(F)(F)F)c(CC(CN)CO)c1C(F)(F)F
InChIInChI=1S/C10H13F6N3O/c1-19-8(10(14,15)16)6(2-5(3-17)4-20)7(18-19)9(11,12)13/h5,20H,2-4,17H2,1H3
InChIKeyUJKCZJNPTCSTOG-UHFFFAOYSA-N
XLogP1.57
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol (CID 83930186) is 2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol is Cn1nc(C(F)(F)F)c(CC(CN)CO)c1C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
The InChIKey is UJKCZJNPTCSTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6N3O/c1-19-8(10(14,15)16)6(2-5(3-17)4-20)7(18-19)9(11,12)13/h5,20H,2-4,17H2,1H3.
What are the key properties of 2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol?
2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol has a molecular weight of 305.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 83930186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).