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

C12H17N3O — CID 71920572

IUPACpyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
SMILESO=C(C1CCCc2[nH]ncc21)N1CCCC1
InChIInChI=1S/C12H17N3O/c16-12(15-6-1-2-7-15)9-4-3-5-11-10(9)8-13-14-11/h8-9H,1-7H2,(H,13,14)
InChIKeyLFAXANRPQIGLJQ-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.45
Rot. Bonds1

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

pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone (PubChem CID 71920572) 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-4-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
PubChem CID71920572
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Namepyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
SMILESO=C(C1CCCc2[nH]ncc21)N1CCCC1
InChIInChI=1S/C12H17N3O/c16-12(15-6-1-2-7-15)9-4-3-5-11-10(9)8-13-14-11/h8-9H,1-7H2,(H,13,14)
InChIKeyLFAXANRPQIGLJQ-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 71920562
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920573
azepan-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920574
(4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71971097
1,4-dioxa-9-azaspiro[4.5]decan-9-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 75391498
N,N-diethyl-4-(4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)piperazine-1-carboxamide
CID 75426007
cyclopentyl-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 110269329
2-cyclopentyl-1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 110270853
N-(3-bicyclo[3.1.0]hexanyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 128897734
ethyl 2-[methyl-(5-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carbonyl)amino]acetate
CID 136559139
(4R)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 164631439
(6S)-N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 164636087

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The IUPAC name of pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone (CID 71920572) is pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone is O=C(C1CCCc2[nH]ncc21)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
The InChIKey is LFAXANRPQIGLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(15-6-1-2-7-15)9-4-3-5-11-10(9)8-13-14-11/h8-9H,1-7H2,(H,13,14).
What are the key properties of pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone?
pyrrolidin-1-yl(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone has a molecular weight of 219.29 g/mol, XLogP of 1.45, 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-4-yl)methanone is sourced from PubChem (CID 71920572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).