2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol

C9H13N3O — CID 130510505

IUPAC2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)C1C=CCN1
InChIInChI=1S/C9H13N3O/c1-12-8(4-6-11-12)9(13)7-3-2-5-10-7/h2-4,6-7,9-10,13H,5H2,1H3
InChIKeySZSOHCIXJAICPD-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.02
Rot. Bonds2

About 2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol

2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol (PubChem CID 130510505) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol
PubChem CID130510505
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)C1C=CCN1
InChIInChI=1S/C9H13N3O/c1-12-8(4-6-11-12)9(13)7-3-2-5-10-7/h2-4,6-7,9-10,13H,5H2,1H3
InChIKeySZSOHCIXJAICPD-UHFFFAOYSA-N
XLogP-0.02
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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(2-methylpyrazol-3-yl)-(oxan-4-yl)methanol
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[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclopropyl]methanol
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2,3-dihydroxy-3-(2-methylpyrazol-3-yl)propanoic acid
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(2-methylpyrazol-3-yl)-(4-methylthiadiazol-5-yl)methanol
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1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 103451942
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
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(2-methylcyclopropyl)-(2-methylpyrazol-3-yl)methanamine
CID 65422135
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CID 65134458

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of 2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol (CID 130510505) is 2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for 2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for 2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)C1C=CCN1.
What is the InChIKey of 2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol?
The InChIKey is SZSOHCIXJAICPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12-8(4-6-11-12)9(13)7-3-2-5-10-7/h2-4,6-7,9-10,13H,5H2,1H3.
What are the key properties of 2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol?
2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol has a molecular weight of 179.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrrol-2-yl-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 130510505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).