5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H17ClN4 — CID 142946922

IUPAC5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(Nc2cc(Cl)nc3c(C(C)C)cnn23)cc1
InChIInChI=1S/C16H17ClN4/c1-10(2)13-9-18-21-15(8-14(17)20-16(13)21)19-12-6-4-11(3)5-7-12/h4-10,19H,1-3H3
InChIKeyNKZKLNHGVSYFEK-UHFFFAOYSA-N
MW300.79 g/mol
LogP4.56
Rot. Bonds3

About 5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 142946922) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID142946922
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(Nc2cc(Cl)nc3c(C(C)C)cnn23)cc1
InChIInChI=1S/C16H17ClN4/c1-10(2)13-9-18-21-15(8-14(17)20-16(13)21)19-12-6-4-11(3)5-7-12/h4-10,19H,1-3H3
InChIKeyNKZKLNHGVSYFEK-UHFFFAOYSA-N
XLogP4.56
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 23645575
CID 142947005
CID 142947005
5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;ethane
CID 145163887
3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10046634
3,5-dichloro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 122457230
5-cyclohexyloxy-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58938308
6-chloro-2-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63549748
3-bromo-N-(4-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 118131950
4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide
CID 142946934
N-[2-(dimethylamino)ethyl]-7-[4-(dimethylsulfamoyl)anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 58938347
N-[3-[(5-amino-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]prop-2-enamide
CID 145163977
3-bromo-5-propan-2-yl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 10088111

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 142946922) is 5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(Nc2cc(Cl)nc3c(C(C)C)cnn23)cc1.
What is the InChIKey of 5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NKZKLNHGVSYFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-10(2)13-9-18-21-15(8-14(17)20-16(13)21)19-12-6-4-11(3)5-7-12/h4-10,19H,1-3H3.
What are the key properties of 5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 300.79 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 142946922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).