N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C16H21N5O — CID 82585516

IUPACN-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2nn(C)c3c2CNCC3)c1
InChIInChI=1S/C16H21N5O/c1-20(2)12-6-4-5-11(9-12)18-16(22)15-13-10-17-8-7-14(13)21(3)19-15/h4-6,9,17H,7-8,10H2,1-3H3,(H,18,22)
InChIKeyBGNIEGNASSBLRI-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.38
Rot. Bonds3

About N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 82585516) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID82585516
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2nn(C)c3c2CNCC3)c1
InChIInChI=1S/C16H21N5O/c1-20(2)12-6-4-5-11(9-12)18-16(22)15-13-10-17-8-7-14(13)21(3)19-15/h4-6,9,17H,7-8,10H2,1-3H3,(H,18,22)
InChIKeyBGNIEGNASSBLRI-UHFFFAOYSA-N
XLogP1.38
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-pyridin-3-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585468
1-methyl-N-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585546
N-ethyl-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585456
N-[3-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461785
N-(8-bromoimidazo[1,2-a]pyridin-3-yl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 166276555
1-[3-(dimethylamino)phenyl]-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66935946
2-(3-methoxyanilino)-1-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-2-phenylethanone;hydrochloride
CID 86728858
N-(3-methoxypropyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585465
N-[3-[ethyl(methyl)amino]phenyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71881123
4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 115375767
N-[3-(dimethylamino)phenyl]-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide
CID 84577436
N-[3-(dimethylamino)phenyl]-2-piperazin-1-ylacetamide
CID 115377065

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 82585516) is N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN(C)c1cccc(NC(=O)c2nn(C)c3c2CNCC3)c1.
What is the InChIKey of N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is BGNIEGNASSBLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20(2)12-6-4-5-11(9-12)18-16(22)15-13-10-17-8-7-14(13)21(3)19-15/h4-6,9,17H,7-8,10H2,1-3H3,(H,18,22).
What are the key properties of N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)phenyl]-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 82585516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).