2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol

C10H16F3N3O — CID 64810661

IUPAC2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCC(N)(CO)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3O/c1-9(14,7-17)3-2-4-16-6-8(5-15-16)10(11,12)13/h5-6,17H,2-4,7,14H2,1H3
InChIKeyWSXBZCSVDJCMEP-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.39
Rot. Bonds5

About 2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol

2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (PubChem CID 64810661) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
PubChem CID64810661
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
SMILESCC(N)(CO)CCCn1cc(C(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3O/c1-9(14,7-17)3-2-4-16-6-8(5-15-16)10(11,12)13/h5-6,17H,2-4,7,14H2,1H3
InChIKeyWSXBZCSVDJCMEP-UHFFFAOYSA-N
XLogP1.39
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol (CID 64810661) is 2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is CC(N)(CO)CCCn1cc(C(F)(F)F)cn1.
What is the InChIKey of 2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
The InChIKey is WSXBZCSVDJCMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-9(14,7-17)3-2-4-16-6-8(5-15-16)10(11,12)13/h5-6,17H,2-4,7,14H2,1H3.
What are the key properties of 2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol?
2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol has a molecular weight of 251.25 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol is sourced from PubChem (CID 64810661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).