3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine

C13H23N3 — CID 131966462

IUPAC3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
SMILESCCCC(CCC)c1n[nH]c2c1CCNC2
InChIInChI=1S/C13H23N3/c1-3-5-10(6-4-2)13-11-7-8-14-9-12(11)15-16-13/h10,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyFTXJSBUPBXBHPQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.74
Rot. Bonds5

About 3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine

3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine (PubChem CID 131966462) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
PubChem CID131966462
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
SMILESCCCC(CCC)c1n[nH]c2c1CCNC2
InChIInChI=1S/C13H23N3/c1-3-5-10(6-4-2)13-11-7-8-14-9-12(11)15-16-13/h10,14H,3-9H2,1-2H3,(H,15,16)
InChIKeyFTXJSBUPBXBHPQ-UHFFFAOYSA-N
XLogP2.74
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
CID 84670415
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 21056777
3-propan-2-yl-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
CID 83845508
3-cyclopropyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine;hydrochloride
CID 45480288
3-(5,6-dimethyl-2,3-dihydro-1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
CID 70831002
N-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 121229497
4-propan-2-yl-5,6,7,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-2-one
CID 83847337
N,N-diethyl-1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepin-3-amine
CID 83863202
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165425789
2-(1-methoxybutyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114743065
4-methyl-3-propan-2-yl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine;molecular hydrogen
CID 176992288
N-cyclohexyl-N-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 56832001

Frequently Asked Questions

What is the IUPAC name of 3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The IUPAC name of 3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine (CID 131966462) is 3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine.
What is the SMILES notation for 3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The canonical SMILES for 3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine is CCCC(CCC)c1n[nH]c2c1CCNC2.
What is the InChIKey of 3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
The InChIKey is FTXJSBUPBXBHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-5-10(6-4-2)13-11-7-8-14-9-12(11)15-16-13/h10,14H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine?
3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine has a molecular weight of 221.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-4-yl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine is sourced from PubChem (CID 131966462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).