N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine

C15H16ClN5 — CID 70806611

IUPACN'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
SMILESCc1cnn2c(NCCN)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C15H16ClN5/c1-10-9-19-21-14(18-7-6-17)8-13(20-15(10)21)11-4-2-3-5-12(11)16/h2-5,8-9,18H,6-7,17H2,1H3
InChIKeySDDLUJDNEWTHBC-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.73
Rot. Bonds4

About N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine

N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine (PubChem CID 70806611) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
PubChem CID70806611
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC NameN'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
SMILESCc1cnn2c(NCCN)cc(-c3ccccc3Cl)nc12
InChIInChI=1S/C15H16ClN5/c1-10-9-19-21-14(18-7-6-17)8-13(20-15(10)21)11-4-2-3-5-12(11)16/h2-5,8-9,18H,6-7,17H2,1H3
InChIKeySDDLUJDNEWTHBC-UHFFFAOYSA-N
XLogP2.73
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-[3-[[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]benzenesulfonamide
CID 70877184
4-[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]but-1-en-2-ol
CID 89234647
N'-[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylbutane-1,4-diamine;ethane
CID 143090193
N-[2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 21067437
N-[3-[[[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 71213586
N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 82270620
2-acetamido-N-[[4-[[[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]phenyl]methyl]benzamide
CID 70877169
N-[(4-aminophenyl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 142871130
CID 89055813
CID 89055813
N-[2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 21067490
5-(2-chlorophenyl)-3-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 71213622
N-[3-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]propane-1-sulfonamide
CID 21067986

Frequently Asked Questions

What is the IUPAC name of N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The IUPAC name of N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine (CID 70806611) is N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine is Cc1cnn2c(NCCN)cc(-c3ccccc3Cl)nc12.
What is the InChIKey of N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The InChIKey is SDDLUJDNEWTHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-10-9-19-21-14(18-7-6-17)8-13(20-15(10)21)11-4-2-3-5-12(11)16/h2-5,8-9,18H,6-7,17H2,1H3.
What are the key properties of N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine has a molecular weight of 301.78 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine is sourced from PubChem (CID 70806611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).