N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide

C12H18N4O — CID 119787830

IUPACN-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCc2cn[nH]c21)C1CCNC1
InChIInChI=1S/C12H18N4O/c17-12(9-4-5-13-6-9)15-10-3-1-2-8-7-14-16-11(8)10/h7,9-10,13H,1-6H2,(H,14,16)(H,15,17)
InChIKeyMNENSJABDUEMRR-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.51
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide

N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide (PubChem CID 119787830) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide
PubChem CID119787830
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCCc2cn[nH]c21)C1CCNC1
InChIInChI=1S/C12H18N4O/c17-12(9-4-5-13-6-9)15-10-3-1-2-8-7-14-16-11(8)10/h7,9-10,13H,1-6H2,(H,14,16)(H,15,17)
InChIKeyMNENSJABDUEMRR-UHFFFAOYSA-N
XLogP0.51
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)cyclohexane-1-carboxamide
CID 119787796
1-cyclohexyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide
CID 127500754
3-amino-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119787793
2-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)oxane-3-carboxamide
CID 138043861
1-phenyl-3-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]urea
CID 97228997
N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
CID 43652010
2-(3-ethylphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)acetamide
CID 154738802
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide
CID 63005680
1-spiro[2.5]octan-2-yl-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 127727149
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)piperidine-1,4-dicarboxamide
CID 127597421
1-[4-(methoxymethyl)cyclohexyl]-3-(4,5,6,7-tetrahydro-1H-indazol-7-yl)urea
CID 128727902
(2S)-2-amino-3-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)propanamide
CID 119326065

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide (CID 119787830) is N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide is O=C(NC1CCCc2cn[nH]c21)C1CCNC1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide?
The InChIKey is MNENSJABDUEMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12(9-4-5-13-6-9)15-10-3-1-2-8-7-14-16-11(8)10/h7,9-10,13H,1-6H2,(H,14,16)(H,15,17).
What are the key properties of N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide?
N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119787830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).