N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine

C21H24Cl2N4 — CID 11774042

IUPACN-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12
InChIInChI=1S/C21H24Cl2N4/c1-4-9-26(12-15-5-6-15)19-10-13(2)24-21-20(14(3)25-27(19)21)17-8-7-16(22)11-18(17)23/h7-8,10-11,15H,4-6,9,12H2,1-3H3
InChIKeyMOFYZEYIRXKTQI-UHFFFAOYSA-N
MW403.36 g/mol
LogP5.95
Rot. Bonds6

About N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine

N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11774042) has the molecular formula C21H24Cl2N4 and a molecular weight of 403.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11774042
Molecular FormulaC21H24Cl2N4
Molecular Weight403.36 g/mol
Exact Mass402.14
IUPAC NameN-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12
InChIInChI=1S/C21H24Cl2N4/c1-4-9-26(12-15-5-6-15)19-10-13(2)24-21-20(14(3)25-27(19)21)17-8-7-16(22)11-18(17)23/h7-8,10-11,15H,4-6,9,12H2,1-3H3
InChIKeyMOFYZEYIRXKTQI-UHFFFAOYSA-N
XLogP5.95
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.36
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine (CID 11774042) is N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine is CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12.
What is the InChIKey of N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MOFYZEYIRXKTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N4/c1-4-9-26(12-15-5-6-15)19-10-13(2)24-21-20(14(3)25-27(19)21)17-8-7-16(22)11-18(17)23/h7-8,10-11,15H,4-6,9,12H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 403.36 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-2,5-dimethyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11774042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).