N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C14H20N6O — CID 97461839

IUPACN,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(Cc1nccn1C)CC2
InChIInChI=1S/C14H20N6O/c1-18(2)14(21)13-10-8-20(6-4-11(10)16-17-13)9-12-15-5-7-19(12)3/h5,7H,4,6,8-9H2,1-3H3,(H,16,17)
InChIKeyXKJGQZDIOISSTP-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.40
Rot. Bonds3

About N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 97461839) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID97461839
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1n[nH]c2c1CN(Cc1nccn1C)CC2
InChIInChI=1S/C14H20N6O/c1-18(2)14(21)13-10-8-20(6-4-11(10)16-17-13)9-12-15-5-7-19(12)3/h5,7H,4,6,8-9H2,1-3H3,(H,16,17)
InChIKeyXKJGQZDIOISSTP-UHFFFAOYSA-N
XLogP0.40
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97461963
N,N-dimethyl-5-(pyridin-4-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97388926
5-[(6-ethoxyquinolin-2-yl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 77094255
5-[(2-cyclopentyloxyphenyl)methyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 77094507
N,N-dimethyl-5-[(1-methylpyrazol-4-yl)methyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 134075984
5-benzoyl-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 110875657
5-(4-fluorobenzoyl)-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914416
5-(furan-2-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461886
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260
N,N-dimethyl-6-[(1-methylimidazol-2-yl)methyl]-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155849666
1-[2-(dimethylamino)-6-[(1-methylimidazol-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidin-4-ol
CID 56884871
5-[4-(4-fluorophenyl)-4-oxobutanoyl]-N,N-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 91914409

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 97461839) is N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CN(C)C(=O)c1n[nH]c2c1CN(Cc1nccn1C)CC2.
What is the InChIKey of N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is XKJGQZDIOISSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-18(2)14(21)13-10-8-20(6-4-11(10)16-17-13)9-12-15-5-7-19(12)3/h5,7H,4,6,8-9H2,1-3H3,(H,16,17).
What are the key properties of N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(1-methylimidazol-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 97461839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).