5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C18H22N4 — CID 5183680

IUPAC5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCC(C)C)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C18H22N4/c1-13(2)9-10-19-17-11-14(3)21-18-16(12-20-22(17)18)15-7-5-4-6-8-15/h4-8,11-13,19H,9-10H2,1-3H3
InChIKeyLBDFFLPWGPZHHR-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.16
Rot. Bonds5

About 5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 5183680) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID5183680
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCCC(C)C)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C18H22N4/c1-13(2)9-10-19-17-11-14(3)21-18-16(12-20-22(17)18)15-7-5-4-6-8-15/h4-8,11-13,19H,9-10H2,1-3H3
InChIKeyLBDFFLPWGPZHHR-UHFFFAOYSA-N
XLogP4.16
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3746157
3,5-dimethyl-N-(3-methylbutyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 50746501
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-(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-(4-ethoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2045207
N-(3-methoxyphenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5154200
3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 34956849
N-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 4971357
3-phenyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4974468

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 5183680) is 5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCCC(C)C)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LBDFFLPWGPZHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-13(2)9-10-19-17-11-14(3)21-18-16(12-20-22(17)18)15-7-5-4-6-8-15/h4-8,11-13,19H,9-10H2,1-3H3.
What are the key properties of 5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 294.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 5183680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).