N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C31H31N5 — CID 3230040

IUPACN-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(-c2cc3nc(-c4ccccc4)cc(NC4CCN(Cc5ccccc5)CC4)n3n2)c1
InChIInChI=1S/C31H31N5/c1-23-9-8-14-26(19-23)29-21-31-33-28(25-12-6-3-7-13-25)20-30(36(31)34-29)32-27-15-17-35(18-16-27)22-24-10-4-2-5-11-24/h2-14,19-21,27,32H,15-18,22H2,1H3
InChIKeyGIPFQSTTYRXZTQ-UHFFFAOYSA-N
MW473.62 g/mol
LogP6.45
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3230040) has the molecular formula C31H31N5 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3230040
Molecular FormulaC31H31N5
Molecular Weight473.62 g/mol
Exact Mass473.26
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cccc(-c2cc3nc(-c4ccccc4)cc(NC4CCN(Cc5ccccc5)CC4)n3n2)c1
InChIInChI=1S/C31H31N5/c1-23-9-8-14-26(19-23)29-21-31-33-28(25-12-6-3-7-13-25)20-30(36(31)34-29)32-27-15-17-35(18-16-27)22-24-10-4-2-5-11-24/h2-14,19-21,27,32H,15-18,22H2,1H3
InChIKeyGIPFQSTTYRXZTQ-UHFFFAOYSA-N
XLogP6.45
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)piperidin-4-amine
CID 75430820
1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 56662047
N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3882518
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915
N-(1-benzylpiperidin-4-yl)-6-methylquinazolin-4-amine
CID 162366578
2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135719651
4-N-(1-benzylpiperidin-4-yl)-2-N,2-N-diethyl-6-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 117090153
1-benzyl-N-[1-(2-phenylquinolin-4-yl)ethyl]piperidin-4-amine;dihydrochloride
CID 90459229
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
4-[(1-benzylpiperidin-4-yl)amino]-2-(4-methylphenyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-7-one;ethane
CID 145194658
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3230040) is N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cccc(-c2cc3nc(-c4ccccc4)cc(NC4CCN(Cc5ccccc5)CC4)n3n2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GIPFQSTTYRXZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5/c1-23-9-8-14-26(19-23)29-21-31-33-28(25-12-6-3-7-13-25)20-30(36(31)34-29)32-27-15-17-35(18-16-27)22-24-10-4-2-5-11-24/h2-14,19-21,27,32H,15-18,22H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 473.62 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3230040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).