1H-indazol-3-yl(pyrazolidin-1-yl)methanone

C11H12N4O — CID 170858238

IUPAC1H-indazol-3-yl(pyrazolidin-1-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCCN1
InChIInChI=1S/C11H12N4O/c16-11(15-7-3-6-12-15)10-8-4-1-2-5-9(8)13-14-10/h1-2,4-5,12H,3,6-7H2,(H,13,14)
InChIKeyRCTJMIZWANCXBF-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.91
Rot. Bonds1

About 1H-indazol-3-yl(pyrazolidin-1-yl)methanone

1H-indazol-3-yl(pyrazolidin-1-yl)methanone (PubChem CID 170858238) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1H-indazol-3-yl(pyrazolidin-1-yl)methanone.

Molecular Properties

Compound Name1H-indazol-3-yl(pyrazolidin-1-yl)methanone
PubChem CID170858238
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1H-indazol-3-yl(pyrazolidin-1-yl)methanone
SMILESO=C(c1n[nH]c2ccccc12)N1CCCN1
InChIInChI=1S/C11H12N4O/c16-11(15-7-3-6-12-15)10-8-4-1-2-5-9(8)13-14-10/h1-2,4-5,12H,3,6-7H2,(H,13,14)
InChIKeyRCTJMIZWANCXBF-UHFFFAOYSA-N
XLogP0.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
1-[1-(1H-indazole-3-carbonyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 71912055
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
1-(1H-indazole-3-carbonyl)-1,4-diazepan-5-one
CID 62045249
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 97313577
4-(1H-indazole-3-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102847847
1H-indazol-3-yl-[(2S)-2-propan-2-ylpyrrolidin-1-yl]methanone
CID 94200752
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 41363693

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-yl(pyrazolidin-1-yl)methanone?
The IUPAC name of 1H-indazol-3-yl(pyrazolidin-1-yl)methanone (CID 170858238) is 1H-indazol-3-yl(pyrazolidin-1-yl)methanone.
What is the SMILES notation for 1H-indazol-3-yl(pyrazolidin-1-yl)methanone?
The canonical SMILES for 1H-indazol-3-yl(pyrazolidin-1-yl)methanone is O=C(c1n[nH]c2ccccc12)N1CCCN1.
What is the InChIKey of 1H-indazol-3-yl(pyrazolidin-1-yl)methanone?
The InChIKey is RCTJMIZWANCXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c16-11(15-7-3-6-12-15)10-8-4-1-2-5-9(8)13-14-10/h1-2,4-5,12H,3,6-7H2,(H,13,14).
What are the key properties of 1H-indazol-3-yl(pyrazolidin-1-yl)methanone?
1H-indazol-3-yl(pyrazolidin-1-yl)methanone has a molecular weight of 216.24 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-yl(pyrazolidin-1-yl)methanone is sourced from PubChem (CID 170858238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).