(1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol

C9H15N3O — CID 19971534

IUPAC(1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol
SMILESCn1cc(C(O)C2CCCN2)cn1
InChIInChI=1S/C9H15N3O/c1-12-6-7(5-11-12)9(13)8-3-2-4-10-8/h5-6,8-10,13H,2-4H2,1H3
InChIKeyNPPCYHVOAQYDDS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.21
Rot. Bonds2

About (1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol

(1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol (PubChem CID 19971534) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol
PubChem CID19971534
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol
SMILESCn1cc(C(O)C2CCCN2)cn1
InChIInChI=1S/C9H15N3O/c1-12-6-7(5-11-12)9(13)8-3-2-4-10-8/h5-6,8-10,13H,2-4H2,1H3
InChIKeyNPPCYHVOAQYDDS-UHFFFAOYSA-N
XLogP0.21
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol (CID 19971534) is (1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol is Cn1cc(C(O)C2CCCN2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol?
The InChIKey is NPPCYHVOAQYDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-6-7(5-11-12)9(13)8-3-2-4-10-8/h5-6,8-10,13H,2-4H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol?
(1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol has a molecular weight of 181.24 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 19971534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).