5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C14H13ClN4O — CID 44589884

IUPAC5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1CNc1cc(Cl)nc2ccnn12
InChIInChI=1S/C14H13ClN4O/c1-20-11-5-3-2-4-10(11)9-16-14-8-12(15)18-13-6-7-17-19(13)14/h2-8,16H,9H2,1H3
InChIKeyQHRAEVKEZZEIFJ-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.00
Rot. Bonds4

About 5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 44589884) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID44589884
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1CNc1cc(Cl)nc2ccnn12
InChIInChI=1S/C14H13ClN4O/c1-20-11-5-3-2-4-10(11)9-16-14-8-12(15)18-13-6-7-17-19(13)14/h2-8,16H,9H2,1H3
InChIKeyQHRAEVKEZZEIFJ-UHFFFAOYSA-N
XLogP3.00
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 155126886
7-Amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70686471
1-benzyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 656061
4-(2-Ethoxyphenyl)-10-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 11133107
5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 11383650
N-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
CID 25132806
5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 54754515
5-N-(2-chloro-4-methoxyphenyl)-6-ethyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 54754516
5-N-(2-chloro-4-methoxyphenyl)-6-propan-2-yl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 56659877
5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N,6-tripropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 56663335
5-N-(2-chloro-4-methoxyphenyl)-6-cyclopentyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 56666769
5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 56673724

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 44589884) is 5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccccc1CNc1cc(Cl)nc2ccnn12.
What is the InChIKey of 5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QHRAEVKEZZEIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-20-11-5-3-2-4-10(11)9-16-14-8-12(15)18-13-6-7-17-19(13)14/h2-8,16H,9H2,1H3.
What are the key properties of 5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 288.74 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 44589884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).