[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol

C13H17N3O — CID 146511965

IUPAC[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol
SMILESCC(C)(C)c1ccn(-c2ccnc(CO)c2)n1
InChIInChI=1S/C13H17N3O/c1-13(2,3)12-5-7-16(15-12)11-4-6-14-10(8-11)9-17/h4-8,17H,9H2,1-3H3
InChIKeyGLFPEQPKNCXBJB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.06
Rot. Bonds2

About [4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol

[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol (PubChem CID 146511965) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol
PubChem CID146511965
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol
SMILESCC(C)(C)c1ccn(-c2ccnc(CO)c2)n1
InChIInChI=1S/C13H17N3O/c1-13(2,3)12-5-7-16(15-12)11-4-6-14-10(8-11)9-17/h4-8,17H,9H2,1-3H3
InChIKeyGLFPEQPKNCXBJB-UHFFFAOYSA-N
XLogP2.06
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol (CID 146511965) is [4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol is CC(C)(C)c1ccn(-c2ccnc(CO)c2)n1.
What is the InChIKey of [4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is GLFPEQPKNCXBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(2,3)12-5-7-16(15-12)11-4-6-14-10(8-11)9-17/h4-8,17H,9H2,1-3H3.
What are the key properties of [4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol?
[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 231.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 146511965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).