N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide

C20H26N4O — CID 144999809

IUPACN-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCC1(C)CCc2c(-c3cccc(NC(=O)N4CCCC4)c3)n[nH]c2C1
InChIInChI=1S/C20H26N4O/c1-20(2)9-8-16-17(13-20)22-23-18(16)14-6-5-7-15(12-14)21-19(25)24-10-3-4-11-24/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyCYAOYLYKOMEYBN-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.22
Rot. Bonds2

About N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide

N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 144999809) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID144999809
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCC1(C)CCc2c(-c3cccc(NC(=O)N4CCCC4)c3)n[nH]c2C1
InChIInChI=1S/C20H26N4O/c1-20(2)9-8-16-17(13-20)22-23-18(16)14-6-5-7-15(12-14)21-19(25)24-10-3-4-11-24/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyCYAOYLYKOMEYBN-UHFFFAOYSA-N
XLogP4.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea
CID 144999837
3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline
CID 144999929
1-[(3-cyanophenyl)methyl]-3-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]urea
CID 145000621
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
N-(3-chlorophenyl)-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442798
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
3-methyl-3-phenyl-N-(3-phenylphenyl)piperidine-1-carboxamide
CID 44555474
N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide
CID 10214778
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-1-carboxamide
CID 53013614
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one
CID 144999746

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide (CID 144999809) is N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide is CC1(C)CCc2c(-c3cccc(NC(=O)N4CCCC4)c3)n[nH]c2C1.
What is the InChIKey of N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is CYAOYLYKOMEYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-20(2)9-8-16-17(13-20)22-23-18(16)14-6-5-7-15(12-14)21-19(25)24-10-3-4-11-24/h5-7,12H,3-4,8-11,13H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide?
N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 144999809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).