5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C18H22N4 — CID 3746157

IUPAC5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCNc1cc(C)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C18H22N4/c1-3-4-8-11-19-17-12-14(2)21-18-16(13-20-22(17)18)15-9-6-5-7-10-15/h5-7,9-10,12-13,19H,3-4,8,11H2,1-2H3
InChIKeySBYIUYXYQMXWEB-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.31
Rot. Bonds6

About 5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3746157) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3746157
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCNc1cc(C)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C18H22N4/c1-3-4-8-11-19-17-12-14(2)21-18-16(13-20-22(17)18)15-9-6-5-7-10-15/h5-7,9-10,12-13,19H,3-4,8,11H2,1-2H3
InChIKeySBYIUYXYQMXWEB-UHFFFAOYSA-N
XLogP4.31
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5183680
5-methyl-N-(2-morpholin-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 665651
N-(3,4-dimethylphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4304394
5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044964
N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044926
N-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2045207
N-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3333332
N-(3,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3771010
N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5154200
N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 7632078
N-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 4971357
N-(3-chlorophenyl)-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46299143

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3746157) is 5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCCCCNc1cc(C)nc2c(-c3ccccc3)cnn12.
What is the InChIKey of 5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SBYIUYXYQMXWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-3-4-8-11-19-17-12-14(2)21-18-16(13-20-22(17)18)15-9-6-5-7-10-15/h5-7,9-10,12-13,19H,3-4,8,11H2,1-2H3.
What are the key properties of 5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 294.40 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3746157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).