N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine

C17H23N5O2 — CID 82588229

IUPACN,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine
SMILESCN(C)CCCn1nc(-c2cccc([N+](=O)[O-])c2)c2c1CCNC2
InChIInChI=1S/C17H23N5O2/c1-20(2)9-4-10-21-16-7-8-18-12-15(16)17(19-21)13-5-3-6-14(11-13)22(23)24/h3,5-6,11,18H,4,7-10,12H2,1-2H3
InChIKeyWNHWFILWEDYJCT-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.06
Rot. Bonds6

About N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine

N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine (PubChem CID 82588229) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine
PubChem CID82588229
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine
SMILESCN(C)CCCn1nc(-c2cccc([N+](=O)[O-])c2)c2c1CCNC2
InChIInChI=1S/C17H23N5O2/c1-20(2)9-4-10-21-16-7-8-18-12-15(16)17(19-21)13-5-3-6-14(11-13)22(23)24/h3,5-6,11,18H,4,7-10,12H2,1-2H3
InChIKeyWNHWFILWEDYJCT-UHFFFAOYSA-N
XLogP2.06
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-1-[(3-nitrophenyl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 59752648
2-[3-(2-chloro-5-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetamide
CID 110459173
3-[3-(2-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanoic acid
CID 82588209
N,N-dimethyl-3-(2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridin-1-yl)propan-1-amine
CID 64857800
3-(3-methoxy-5-nitroindazol-1-yl)-N,N-dimethylpropan-1-amine
CID 46228354
5-amino-3-(3-nitrophenyl)-1-propylpyrazole-4-carbaldehyde
CID 82360447
3-tert-butyl-1-methyl-5-(3-nitrophenyl)pyrazole
CID 154682928
N,N,N'-trimethyl-N'-[6-methyl-2-(3-nitrophenyl)pyrimidin-4-yl]ethane-1,2-diamine
CID 133356160
1-(2-methyl-5-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 82587224
5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539744
2-[2-(diethylamino)ethyl]-6-(3-nitrophenyl)pyridazin-3-one
CID 7665774
2-(3-nitrophenyl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941302

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine (CID 82588229) is N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine is CN(C)CCCn1nc(-c2cccc([N+](=O)[O-])c2)c2c1CCNC2.
What is the InChIKey of N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine?
The InChIKey is WNHWFILWEDYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-20(2)9-4-10-21-16-7-8-18-12-15(16)17(19-21)13-5-3-6-14(11-13)22(23)24/h3,5-6,11,18H,4,7-10,12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine?
N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine has a molecular weight of 329.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine is sourced from PubChem (CID 82588229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).