1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol

C8H13N3O — CID 84652727

IUPAC1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol
SMILESOC(c1cn[nH]c1)C1CCNC1
InChIInChI=1S/C8H13N3O/c12-8(6-1-2-9-3-6)7-4-10-11-5-7/h4-6,8-9,12H,1-3H2,(H,10,11)
InChIKeyFWARIPPKRTZWRL-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.05
Rot. Bonds2

About 1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol

1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol (PubChem CID 84652727) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol
PubChem CID84652727
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol
SMILESOC(c1cn[nH]c1)C1CCNC1
InChIInChI=1S/C8H13N3O/c12-8(6-1-2-9-3-6)7-4-10-11-5-7/h4-6,8-9,12H,1-3H2,(H,10,11)
InChIKeyFWARIPPKRTZWRL-UHFFFAOYSA-N
XLogP0.05
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol?
The IUPAC name of 1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol (CID 84652727) is 1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol.
What is the SMILES notation for 1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol?
The canonical SMILES for 1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol is OC(c1cn[nH]c1)C1CCNC1.
What is the InChIKey of 1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol?
The InChIKey is FWARIPPKRTZWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-8(6-1-2-9-3-6)7-4-10-11-5-7/h4-6,8-9,12H,1-3H2,(H,10,11).
What are the key properties of 1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol?
1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol has a molecular weight of 167.21 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-4-yl(pyrrolidin-3-yl)methanol is sourced from PubChem (CID 84652727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).