2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine

C16H22N4 — CID 83851652

IUPAC2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine
SMILESCC(C)(N)c1n[nH]c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H22N4/c1-16(2,17)15-13-11-20(9-8-14(13)18-19-15)10-12-6-4-3-5-7-12/h3-7H,8-11,17H2,1-2H3,(H,18,19)
InChIKeyJDPSQUWHAZRZTA-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.16
Rot. Bonds3

About 2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine

2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine (PubChem CID 83851652) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine
PubChem CID83851652
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine
SMILESCC(C)(N)c1n[nH]c2c1CN(Cc1ccccc1)CC2
InChIInChI=1S/C16H22N4/c1-16(2,17)15-13-11-20(9-8-14(13)18-19-15)10-12-6-4-3-5-7-12/h3-7H,8-11,17H2,1-2H3,(H,18,19)
InChIKeyJDPSQUWHAZRZTA-UHFFFAOYSA-N
XLogP2.16
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-benzyl-3-(2,3-dichlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110535258
5-benzyl-3-pyrrolidin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 172908815
5-benzyl-3-(3-propan-2-yloxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536008
1-(5-benzyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)-N-methylmethanamine
CID 83870575
2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 21231097
5-benzyl-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110532576
1-benzyl-4-tert-butylpiperazine
CID 3591937
5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154565607
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
2-benzyl-7-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 13216318
5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 83850276
3,6-dibenzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
CID 19423339

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine?
The IUPAC name of 2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine (CID 83851652) is 2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine.
What is the SMILES notation for 2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine?
The canonical SMILES for 2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine is CC(C)(N)c1n[nH]c2c1CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine?
The InChIKey is JDPSQUWHAZRZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-16(2,17)15-13-11-20(9-8-14(13)18-19-15)10-12-6-4-3-5-7-12/h3-7H,8-11,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine?
2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine has a molecular weight of 270.38 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-2-amine is sourced from PubChem (CID 83851652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).