5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine

C12H10ClN5 — CID 171621163

IUPAC5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCNc1nc(Cl)nc2c(-c3ccccc3)n[nH]c12
InChIInChI=1S/C12H10ClN5/c1-14-11-10-9(15-12(13)16-11)8(17-18-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,17,18)(H,14,15,16)
InChIKeyXLYYQUYMPFJKSA-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.71
Rot. Bonds2

About 5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine

5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 171621163) has the molecular formula C12H10ClN5 and a molecular weight of 259.70 g/mol. Its IUPAC name is 5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID171621163
Molecular FormulaC12H10ClN5
Molecular Weight259.70 g/mol
Exact Mass259.06
IUPAC Name5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCNc1nc(Cl)nc2c(-c3ccccc3)n[nH]c12
InChIInChI=1S/C12H10ClN5/c1-14-11-10-9(15-12(13)16-11)8(17-18-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,17,18)(H,14,15,16)
InChIKeyXLYYQUYMPFJKSA-UHFFFAOYSA-N
XLogP2.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine 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

5-Butyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135457998
4-methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-3-amine
CID 821854
1H-Purine, 2,6-diphenyl-
CID 11572592
3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 14638904
N,3-dimethyl-11-phenyl-1,3,5,8,12-pentaazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-7-amine
CID 25263282
6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
(2r)-2-{[7-(Benzylamino)-3-(Propan-2-Yl)-1h-Pyrazolo[4,3-D]pyrimidin-5-Yl]amino}butan-1-Ol
CID 51000420
N-Methyl-1-(4-(9H-purin-6-YL)phenyl)methanamine
CID 11608401
5-Methyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135427226
5-Pentyl-8-phenyl-3H-[1,2,4]triazolo[5,1-i]purine
CID 135450786
7-(Benzylamino)-3-methylpyrazolo(4,3-d)pyrimidine
CID 221104
3-hydrazinyl-5-methyl-5H-[1,2,4]triazino[5,6-b]indole
CID 5271119

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine (CID 171621163) is 5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine is CNc1nc(Cl)nc2c(-c3ccccc3)n[nH]c12.
What is the InChIKey of 5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is XLYYQUYMPFJKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5/c1-14-11-10-9(15-12(13)16-11)8(17-18-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine?
5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 259.70 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-3-phenyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 171621163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).