[1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol

C13H15N3O — CID 121213327

IUPAC[1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol
SMILESOCc1cn(CC2CC2)nc1-c1ccccn1
InChIInChI=1S/C13H15N3O/c17-9-11-8-16(7-10-4-5-10)15-13(11)12-3-1-2-6-14-12/h1-3,6,8,10,17H,4-5,7,9H2
InChIKeyFFHCLNOZPRUFFZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.85
Rot. Bonds4

About [1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol

[1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol (PubChem CID 121213327) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol
PubChem CID121213327
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name[1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol
SMILESOCc1cn(CC2CC2)nc1-c1ccccn1
InChIInChI=1S/C13H15N3O/c17-9-11-8-16(7-10-4-5-10)15-13(11)12-3-1-2-6-14-12/h1-3,6,8,10,17H,4-5,7,9H2
InChIKeyFFHCLNOZPRUFFZ-UHFFFAOYSA-N
XLogP1.85
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol?
The IUPAC name of [1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol (CID 121213327) is [1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol is OCc1cn(CC2CC2)nc1-c1ccccn1.
What is the InChIKey of [1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol?
The InChIKey is FFHCLNOZPRUFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-9-11-8-16(7-10-4-5-10)15-13(11)12-3-1-2-6-14-12/h1-3,6,8,10,17H,4-5,7,9H2.
What are the key properties of [1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol?
[1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol has a molecular weight of 229.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol is sourced from PubChem (CID 121213327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).