2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol

C13H17N3O — CID 64809901

IUPAC2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol
SMILESCc1ccn(CC(N)(CO)c2ccccc2)n1
InChIInChI=1S/C13H17N3O/c1-11-7-8-16(15-11)9-13(14,10-17)12-5-3-2-4-6-12/h2-8,17H,9-10,14H2,1H3
InChIKeyKPIGDQARPWVHMM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.04
Rot. Bonds4

About 2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol

2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol (PubChem CID 64809901) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol
PubChem CID64809901
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol
SMILESCc1ccn(CC(N)(CO)c2ccccc2)n1
InChIInChI=1S/C13H17N3O/c1-11-7-8-16(15-11)9-13(14,10-17)12-5-3-2-4-6-12/h2-8,17H,9-10,14H2,1H3
InChIKeyKPIGDQARPWVHMM-UHFFFAOYSA-N
XLogP1.04
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol (CID 64809901) is 2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol is Cc1ccn(CC(N)(CO)c2ccccc2)n1.
What is the InChIKey of 2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol?
The InChIKey is KPIGDQARPWVHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11-7-8-16(15-11)9-13(14,10-17)12-5-3-2-4-6-12/h2-8,17H,9-10,14H2,1H3.
What are the key properties of 2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol?
2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methylpyrazol-1-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 64809901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).