pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

C12H17N3O — CID 94913763

IUPACpyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCCC1
InChIInChI=1S/C12H17N3O/c16-12(15-7-3-4-8-15)11-9-5-1-2-6-10(9)13-14-11/h1-8H2,(H,13,14)
InChIKeyAOMFVIRPUCCSSP-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.52
Rot. Bonds1

About pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone

pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (PubChem CID 94913763) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
PubChem CID94913763
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Namepyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCCC1
InChIInChI=1S/C12H17N3O/c16-12(15-7-3-4-8-15)11-9-5-1-2-6-10(9)13-14-11/h1-8H2,(H,13,14)
InChIKeyAOMFVIRPUCCSSP-UHFFFAOYSA-N
XLogP1.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 2202791
N-(cyclopentylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 820033
N-cyclohexyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 25161455
5-(2-methylbutan-2-yl)-N-prop-2-enyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161459
5-(2-methylbutan-2-yl)-N-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161475
N-cyclopentyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163871
N-[2-(1-Cyclohexenyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 20887974
N-(cyclopropylmethyl)-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161457
N-cyclohexyl-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25161458
5-(2-methylbutan-2-yl)-N-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 25163410
4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 28358792
N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 42873445

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The IUPAC name of pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone (CID 94913763) is pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is O=C(c1n[nH]c2c1CCCC2)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
The InChIKey is AOMFVIRPUCCSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(15-7-3-4-8-15)11-9-5-1-2-6-10(9)13-14-11/h1-8H2,(H,13,14).
What are the key properties of pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone?
pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone is sourced from PubChem (CID 94913763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).