5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine

C19H24ClN5O — CID 54754515

IUPAC5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCC(CC)Nc1c(C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
InChIInChI=1S/C19H24ClN5O/c1-5-13(6-2)22-19-12(3)18(24-17-9-10-21-25(17)19)23-16-8-7-14(26-4)11-15(16)20/h7-11,13,22H,5-6H2,1-4H3,(H,23,24)
InChIKeyCMCQLMAKXNFWSL-UHFFFAOYSA-N
MW373.89 g/mol
LogP5.04
Rot. Bonds7

About 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine

5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 54754515) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID54754515
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCC(CC)Nc1c(C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12
InChIInChI=1S/C19H24ClN5O/c1-5-13(6-2)22-19-12(3)18(24-17-9-10-21-25(17)19)23-16-8-7-14(26-4)11-15(16)20/h7-11,13,22H,5-6H2,1-4H3,(H,23,24)
InChIKeyCMCQLMAKXNFWSL-UHFFFAOYSA-N
XLogP5.04
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.89
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-chloro-phenylamino)-3-(4-methoxy-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327828
N~7~-(4-Ethoxyphenyl)-6-Methyl-N~5~-[(3s)-Piperidin-3-Yl]pyrazolo[1,5-A]pyrimidine-5,7-Diamine
CID 49867482
N-(3-chloro-4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 743057
N-(2-chloro-4-methoxyphenyl)-3-pentan-3-yl-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-amine
CID 11153312
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866545
N-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 3139598
1-benzyl-N-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 656061
1-(4-methoxyphenyl)-N,N-dipropyl-4-pyrazolo[3,4-d]pyrimidinamine
CID 2941340
N-ethyl-1-(4-methoxyphenyl)-N-phenylpyrazolo[5,4-d]pyrimidin-4-amine
CID 4403984
N-(4-ethoxyphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 875439
5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 11383650
N3-(2,6-dichlorophenyl)-N6-(3-fluoro-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-1-(3-methoxy-3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 16049260

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 54754515) is 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine is CCC(CC)Nc1c(C)c(Nc2ccc(OC)cc2Cl)nc2ccnn12.
What is the InChIKey of 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is CMCQLMAKXNFWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-5-13(6-2)22-19-12(3)18(24-17-9-10-21-25(17)19)23-16-8-7-14(26-4)11-15(16)20/h7-11,13,22H,5-6H2,1-4H3,(H,23,24).
What are the key properties of 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 373.89 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-chloro-4-methoxyphenyl)-6-methyl-7-N-pentan-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 54754515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).