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

C15H16ClN5 — CID 82270620

IUPACN'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
SMILESCc1cc(NCCN)n2nc(-c3ccccc3Cl)cc2n1
InChIInChI=1S/C15H16ClN5/c1-10-8-14(18-7-6-17)21-15(19-10)9-13(20-21)11-4-2-3-5-12(11)16/h2-5,8-9,18H,6-7,17H2,1H3
InChIKeySXGFWCQJUZKKTI-UHFFFAOYSA-N
MW301.78 g/mol
LogP2.73
Rot. Bonds4

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

N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine (PubChem CID 82270620) has the molecular formula C15H16ClN5 and a molecular weight of 301.78 g/mol. Its IUPAC name is N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
PubChem CID82270620
Molecular FormulaC15H16ClN5
Molecular Weight301.78 g/mol
Exact Mass301.11
IUPAC NameN'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
SMILESCc1cc(NCCN)n2nc(-c3ccccc3Cl)cc2n1
InChIInChI=1S/C15H16ClN5/c1-10-8-14(18-7-6-17)21-15(19-10)9-13(20-21)11-4-2-3-5-12(11)16/h2-5,8-9,18H,6-7,17H2,1H3
InChIKeySXGFWCQJUZKKTI-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

N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 18406994
N'-[5-ethyl-2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 82270644
N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 70806611
N'-[2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]propane-1,3-diamine
CID 82270770
(5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270287
2-(2-methoxyphenyl)-5-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 20895288
N-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895294
2-(2-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 146052228
7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 140990710
2-(2-methoxyphenyl)-N-(3-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895301
3-[(5-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 3229955
N'-[3-(4-chloro-2,5-dimethylphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 142655022

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine (CID 82270620) is N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine is Cc1cc(NCCN)n2nc(-c3ccccc3Cl)cc2n1.
What is the InChIKey of N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The InChIKey is SXGFWCQJUZKKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5/c1-10-8-14(18-7-6-17)21-15(19-10)9-13(20-21)11-4-2-3-5-12(11)16/h2-5,8-9,18H,6-7,17H2,1H3.
What are the key properties of N'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
N'-[2-(2-chlorophenyl)-5-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'-[2-(2-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine is sourced from PubChem (CID 82270620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).