(3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone

C14H13Cl2N3O — CID 169099979

IUPAC(3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone
SMILESC[C@@H]1Cc2[nH]ncc2CN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O/c1-8-4-13-10(6-17-18-13)7-19(8)14(20)9-2-3-11(15)12(16)5-9/h2-3,5-6,8H,4,7H2,1H3,(H,17,18)/t8-/m1/s1
InChIKeyKAUIVEHMACOWQT-MRVPVSSYSA-N
MW310.18 g/mol
LogP3.30
Rot. Bonds1

About (3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone

(3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone (PubChem CID 169099979) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone
PubChem CID169099979
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name(3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone
SMILESC[C@@H]1Cc2[nH]ncc2CN1C(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O/c1-8-4-13-10(6-17-18-13)7-19(8)14(20)9-2-3-11(15)12(16)5-9/h2-3,5-6,8H,4,7H2,1H3,(H,17,18)/t8-/m1/s1
InChIKeyKAUIVEHMACOWQT-MRVPVSSYSA-N
XLogP3.30
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (6R)-5-[4-chloro-3-(trifluoromethyl)benzoyl]-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 167100491
(11R)-12-(3,4-dichlorobenzoyl)-11-methyl-4-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 155342947
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174
(3,4-dichlorophenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7724523
(3,4-dichlorophenyl)-(3,5-dimethylmorpholin-4-yl)methanone
CID 110292311
(3,4-dichlorophenyl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7722716
1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364499
ethyl 4-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-sulfanylidene-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl]benzoate
CID 155102036
1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 60719171
(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 873798
[(11R)-4-[(6-chloro-3-pyridinyl)methyl]-3-hydroxy-11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-12-yl]-(3,4-dichlorophenyl)methanone
CID 155731800
methyl 3-[(6R)-7-(3,4-dichlorobenzoyl)-6-methyl-4-oxo-2-(propan-2-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl]bicyclo[1.1.1]pentane-1-carboxylate
CID 167416366

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone (CID 169099979) is (3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone is C[C@@H]1Cc2[nH]ncc2CN1C(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is KAUIVEHMACOWQT-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c1-8-4-13-10(6-17-18-13)7-19(8)14(20)9-2-3-11(15)12(16)5-9/h2-3,5-6,8H,4,7H2,1H3,(H,17,18)/t8-/m1/s1.
What are the key properties of (3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone?
(3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 310.18 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[(6R)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 169099979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).