1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol

C12H14ClN3O — CID 135262505

IUPAC1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2cc3[nH]ncc3cc2Cl)C1
InChIInChI=1S/C12H14ClN3O/c1-12(17)2-3-16(7-12)11-5-10-8(4-9(11)13)6-14-15-10/h4-6,17H,2-3,7H2,1H3,(H,14,15)
InChIKeyDOTHLAMZABRHIV-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.18
Rot. Bonds1

About 1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol

1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol (PubChem CID 135262505) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol
PubChem CID135262505
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(c2cc3[nH]ncc3cc2Cl)C1
InChIInChI=1S/C12H14ClN3O/c1-12(17)2-3-16(7-12)11-5-10-8(4-9(11)13)6-14-15-10/h4-6,17H,2-3,7H2,1H3,(H,14,15)
InChIKeyDOTHLAMZABRHIV-UHFFFAOYSA-N
XLogP2.18
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol (CID 135262505) is 1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(c2cc3[nH]ncc3cc2Cl)C1.
What is the InChIKey of 1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol?
The InChIKey is DOTHLAMZABRHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-12(17)2-3-16(7-12)11-5-10-8(4-9(11)13)6-14-15-10/h4-6,17H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol?
1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol has a molecular weight of 251.72 g/mol, XLogP of 2.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indazol-6-yl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 135262505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).