1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine

C13H11ClN4 — CID 118463415

IUPAC1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine
SMILESNc1nn(Cc2ccccc2)c2cncc(Cl)c12
InChIInChI=1S/C13H11ClN4/c14-10-6-16-7-11-12(10)13(15)17-18(11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,17)
InChIKeyVJTKVVSQHDPJIB-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.72
Rot. Bonds2

About 1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine

1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine (PubChem CID 118463415) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine.

Molecular Properties

Compound Name1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine
PubChem CID118463415
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine
SMILESNc1nn(Cc2ccccc2)c2cncc(Cl)c12
InChIInChI=1S/C13H11ClN4/c14-10-6-16-7-11-12(10)13(15)17-18(11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,17)
InChIKeyVJTKVVSQHDPJIB-UHFFFAOYSA-N
XLogP2.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[(2-chlorophenyl)methyl]indazol-3-amine
CID 55104008
4-amino-2-benzyl-7-chlorophthalazin-1-one
CID 71763827
4-benzyl-1,3-dimethylpyrazolo[4,5-c]pyrazol-6-amine
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4-chloro-N-(pyridazin-3-ylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-amine
CID 146329941
sodium 1-benzylindazol-3-olate
CID 23691647
1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine
CID 43381349
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]butanamide
CID 118453550
1-benzyl-5-chloro-3-(difluoromethyl)pyrazole
CID 66022590
1-benzyl-3-methylpyrazole-4,5-diamine;dihydrochloride
CID 18769494
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CID 84820888

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine?
The IUPAC name of 1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine (CID 118463415) is 1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine.
What is the SMILES notation for 1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine?
The canonical SMILES for 1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine is Nc1nn(Cc2ccccc2)c2cncc(Cl)c12.
What is the InChIKey of 1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine?
The InChIKey is VJTKVVSQHDPJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c14-10-6-16-7-11-12(10)13(15)17-18(11)8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,15,17).
What are the key properties of 1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine?
1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine has a molecular weight of 258.71 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-chloropyrazolo[3,4-c]pyridin-3-amine is sourced from PubChem (CID 118463415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).