2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol

C9H17N3O2 — CID 165483252

IUPAC2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol
SMILESCc1cc(N)nn1CC(C)(CO)CO
InChIInChI=1S/C9H17N3O2/c1-7-3-8(10)11-12(7)4-9(2,5-13)6-14/h3,13-14H,4-6H2,1-2H3,(H2,10,11)
InChIKeyDZVQXWJNCDXNQB-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.24
Rot. Bonds4

About 2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol

2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol (PubChem CID 165483252) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol
PubChem CID165483252
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol
SMILESCc1cc(N)nn1CC(C)(CO)CO
InChIInChI=1S/C9H17N3O2/c1-7-3-8(10)11-12(7)4-9(2,5-13)6-14/h3,13-14H,4-6H2,1-2H3,(H2,10,11)
InChIKeyDZVQXWJNCDXNQB-UHFFFAOYSA-N
XLogP-0.24
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol (CID 165483252) is 2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol is Cc1cc(N)nn1CC(C)(CO)CO.
What is the InChIKey of 2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol?
The InChIKey is DZVQXWJNCDXNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7-3-8(10)11-12(7)4-9(2,5-13)6-14/h3,13-14H,4-6H2,1-2H3,(H2,10,11).
What are the key properties of 2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol?
2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol has a molecular weight of 199.25 g/mol, XLogP of -0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-methylpyrazol-1-yl)methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 165483252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).