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

C33H32F6N6 — CID 126726169

IUPACN,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(-c3cc(C(F)(F)F)[nH]n3)nc(-c3cc(C(F)(F)F)[nH]n3)c2)cc1
InChIInChI=1S/C33H32F6N6/c1-30(2,3)19-7-11-21(12-8-19)45(22-13-9-20(10-14-22)31(4,5)6)23-15-24(26-17-28(43-41-26)32(34,35)36)40-25(16-23)27-18-29(44-42-27)33(37,38)39/h7-18H,1-6H3,(H,41,43)(H,42,44)
InChIKeyPKNADGNDYNMKNN-UHFFFAOYSA-N
MW626.65 g/mol
LogP9.96
Rot. Bonds5

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

N,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine (PubChem CID 126726169) has the molecular formula C33H32F6N6 and a molecular weight of 626.65 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
PubChem CID126726169
Molecular FormulaC33H32F6N6
Molecular Weight626.65 g/mol
Exact Mass626.26
IUPAC NameN,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc(-c3cc(C(F)(F)F)[nH]n3)nc(-c3cc(C(F)(F)F)[nH]n3)c2)cc1
InChIInChI=1S/C33H32F6N6/c1-30(2,3)19-7-11-21(12-8-19)45(22-13-9-20(10-14-22)31(4,5)6)23-15-24(26-17-28(43-41-26)32(34,35)36)40-25(16-23)27-18-29(44-42-27)33(37,38)39/h7-18H,1-6H3,(H,41,43)(H,42,44)
InChIKeyPKNADGNDYNMKNN-UHFFFAOYSA-N
XLogP9.96
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.65
LogP ≤ 59.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine (CID 126726169) is N,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)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-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
The InChIKey is PKNADGNDYNMKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F6N6/c1-30(2,3)19-7-11-21(12-8-19)45(22-13-9-20(10-14-22)31(4,5)6)23-15-24(26-17-28(43-41-26)32(34,35)36)40-25(16-23)27-18-29(44-42-27)33(37,38)39/h7-18H,1-6H3,(H,41,43)(H,42,44).
What are the key properties of N,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine?
N,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine has a molecular weight of 626.65 g/mol, XLogP of 9.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-2,6-bis[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridin-4-amine is sourced from PubChem (CID 126726169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).