(2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol

C9H15N3O — CID 19971529

IUPAC(2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol
SMILESCn1nccc1C(O)C1CCCN1
InChIInChI=1S/C9H15N3O/c1-12-8(4-6-11-12)9(13)7-3-2-5-10-7/h4,6-7,9-10,13H,2-3,5H2,1H3
InChIKeySSGCHMHGZGKZRD-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.21
Rot. Bonds2

About (2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol

(2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol (PubChem CID 19971529) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol
PubChem CID19971529
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol
SMILESCn1nccc1C(O)C1CCCN1
InChIInChI=1S/C9H15N3O/c1-12-8(4-6-11-12)9(13)7-3-2-5-10-7/h4,6-7,9-10,13H,2-3,5H2,1H3
InChIKeySSGCHMHGZGKZRD-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 (2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol?
The IUPAC name of (2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol (CID 19971529) is (2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol.
What is the SMILES notation for (2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol?
The canonical SMILES for (2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol is Cn1nccc1C(O)C1CCCN1.
What is the InChIKey of (2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol?
The InChIKey is SSGCHMHGZGKZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-8(4-6-11-12)9(13)7-3-2-5-10-7/h4,6-7,9-10,13H,2-3,5H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol?
(2-methylpyrazol-3-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 (2-methylpyrazol-3-yl)-pyrrolidin-2-ylmethanol is sourced from PubChem (CID 19971529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).