N-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C20H17ClN4O — CID 4973390

IUPACN-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1cnn2c(Nc3cccc(Cl)c3)cc(C)nc12
InChIInChI=1S/C20H17ClN4O/c1-13-10-19(24-15-7-5-6-14(21)11-15)25-20(23-13)17(12-22-25)16-8-3-4-9-18(16)26-2/h3-12,24H,1-2H3
InChIKeyVTZCUSLELXAKPK-UHFFFAOYSA-N
MW364.84 g/mol
LogP5.11
Rot. Bonds4

About N-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

N-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4973390) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4973390
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC NameN-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1cnn2c(Nc3cccc(Cl)c3)cc(C)nc12
InChIInChI=1S/C20H17ClN4O/c1-13-10-19(24-15-7-5-6-14(21)11-15)25-20(23-13)17(12-22-25)16-8-3-4-9-18(16)26-2/h3-12,24H,1-2H3
InChIKeyVTZCUSLELXAKPK-UHFFFAOYSA-N
XLogP5.11
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.84
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5H-Cyclopenta(d)pyrazolo(1,5-a)pyrimidin-8-amine, 3-(2-chloro-4-methoxyphenyl)-N-(1-ethylpropyl)-6,7-dihydro-2-methyl-
CID 9801039
(3R)-3-[[7-[[(2S)-2-amino-2-(2-methoxyphenyl)ethyl]amino]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]amino]-3-(3-chlorophenyl)propanenitrile
CID 137349319
4-(3-chloro-phenylamino)-3-(4-methoxy-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327828
4-N-(3-chlorophenyl)-3-N-[(3-methoxyphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 5327837
4-N-(3-chlorophenyl)-3-N-[(4-methoxyphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 5327838
N-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327841
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57390671
7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402936
7-Amino-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70686471
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
N-(4-methoxyphenyl)-3-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-1-carbothioamide
CID 54764682
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 4973390) is N-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccccc1-c1cnn2c(Nc3cccc(Cl)c3)cc(C)nc12.
What is the InChIKey of N-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VTZCUSLELXAKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-13-10-19(24-15-7-5-6-14(21)11-15)25-20(23-13)17(12-22-25)16-8-3-4-9-18(16)26-2/h3-12,24H,1-2H3.
What are the key properties of N-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 364.84 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4973390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).