5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C22H30N4 — CID 3321782

IUPAC5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCNc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C22H30N4/c1-6-7-11-14-23-19-15-18(22(3,4)5)24-21-20(16(2)25-26(19)21)17-12-9-8-10-13-17/h8-10,12-13,15,23H,6-7,11,14H2,1-5H3
InChIKeyUQRBURSDKUGOIP-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.60
Rot. Bonds6

About 5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3321782) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3321782
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC Name5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCCNc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C22H30N4/c1-6-7-11-14-23-19-15-18(22(3,4)5)24-21-20(16(2)25-26(19)21)17-12-9-8-10-13-17/h8-10,12-13,15,23H,6-7,11,14H2,1-5H3
InChIKeyUQRBURSDKUGOIP-UHFFFAOYSA-N
XLogP5.60
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044926
N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3815077
6-benzyl-N-hexyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4639358
5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-[(1R)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 7740727
5-tert-butyl-N-(4-butylphenyl)-3-(2-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4893673
5-tert-butyl-3-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4870041
5-tert-butyl-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3487393
N-butyl-5-methyl-3-(4-methylphenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46299225
5-tert-butyl-3-(4-chlorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3632429
7-(2-methoxyphenyl)-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079767
5-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3746157
2,5-dimethyl-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 7174902

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3321782) is 5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCCCCNc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12.
What is the InChIKey of 5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UQRBURSDKUGOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4/c1-6-7-11-14-23-19-15-18(22(3,4)5)24-21-20(16(2)25-26(19)21)17-12-9-8-10-13-17/h8-10,12-13,15,23H,6-7,11,14H2,1-5H3.
What are the key properties of 5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 350.51 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-N-pentyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3321782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).