N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine

C35H36F6N6 — CID 129061223

IUPACN,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
SMILESCCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2cc(-c3cc(C(F)(F)F)[nH]n3)nc(-c3cc(C(F)(F)F)[nH]n3)c2)cc1
InChIInChI=1S/C35H36F6N6/c1-3-5-7-9-23-11-15-25(16-12-23)47(26-17-13-24(14-18-26)10-8-6-4-2)27-19-28(30-21-32(45-43-30)34(36,37)38)42-29(20-27)31-22-33(46-44-31)35(39,40)41/h11-22H,3-10H2,1-2H3,(H,43,45)(H,44,46)
InChIKeyBNVWSHUWHBRDBV-UHFFFAOYSA-N
MW654.70 g/mol
LogP10.83
Rot. Bonds13

About N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine

N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine (PubChem CID 129061223) has the molecular formula C35H36F6N6 and a molecular weight of 654.70 g/mol. Its IUPAC name is N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine.

Molecular Properties

Compound NameN,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
PubChem CID129061223
Molecular FormulaC35H36F6N6
Molecular Weight654.70 g/mol
Exact Mass654.29
IUPAC NameN,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
SMILESCCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2cc(-c3cc(C(F)(F)F)[nH]n3)nc(-c3cc(C(F)(F)F)[nH]n3)c2)cc1
InChIInChI=1S/C35H36F6N6/c1-3-5-7-9-23-11-15-25(16-12-23)47(26-17-13-24(14-18-26)10-8-6-4-2)27-19-28(30-21-32(45-43-30)34(36,37)38)42-29(20-27)31-22-33(46-44-31)35(39,40)41/h11-22H,3-10H2,1-2H3,(H,43,45)(H,44,46)
InChIKeyBNVWSHUWHBRDBV-UHFFFAOYSA-N
XLogP10.83
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.70
LogP ≤ 510.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
The IUPAC name of N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine (CID 129061223) is N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine.
What is the SMILES notation for N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
The canonical SMILES for N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine is CCCCCc1ccc(N(c2ccc(CCCCC)cc2)c2cc(-c3cc(C(F)(F)F)[nH]n3)nc(-c3cc(C(F)(F)F)[nH]n3)c2)cc1.
What is the InChIKey of N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
The InChIKey is BNVWSHUWHBRDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36F6N6/c1-3-5-7-9-23-11-15-25(16-12-23)47(26-17-13-24(14-18-26)10-8-6-4-2)27-19-28(30-21-32(45-43-30)34(36,37)38)42-29(20-27)31-22-33(46-44-31)35(39,40)41/h11-22H,3-10H2,1-2H3,(H,43,45)(H,44,46).
What are the key properties of N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine has a molecular weight of 654.70 g/mol, XLogP of 10.83, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-pentylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine is sourced from PubChem (CID 129061223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).