N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine

C16H20F3N5 — CID 91173131

IUPACN,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine
SMILESCN(C)C=C(CN(C)C)n1nc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C16H20F3N5/c1-22(2)10-13(11-23(3)4)24-15(16(17,18)19)8-14(21-24)12-6-5-7-20-9-12/h5-10H,11H2,1-4H3
InChIKeyDVBOWXZKPMMHQB-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.89
Rot. Bonds5

About N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine

N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine (PubChem CID 91173131) has the molecular formula C16H20F3N5 and a molecular weight of 339.37 g/mol. Its IUPAC name is N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine
PubChem CID91173131
Molecular FormulaC16H20F3N5
Molecular Weight339.37 g/mol
Exact Mass339.17
IUPAC NameN,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine
SMILESCN(C)C=C(CN(C)C)n1nc(-c2cccnc2)cc1C(F)(F)F
InChIInChI=1S/C16H20F3N5/c1-22(2)10-13(11-23(3)4)24-15(16(17,18)19)8-14(21-24)12-6-5-7-20-9-12/h5-10H,11H2,1-4H3
InChIKeyDVBOWXZKPMMHQB-UHFFFAOYSA-N
XLogP2.89
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine?
The IUPAC name of N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine (CID 91173131) is N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine.
What is the SMILES notation for N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine?
The canonical SMILES for N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine is CN(C)C=C(CN(C)C)n1nc(-c2cccnc2)cc1C(F)(F)F.
What is the InChIKey of N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine?
The InChIKey is DVBOWXZKPMMHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5/c1-22(2)10-13(11-23(3)4)24-15(16(17,18)19)8-14(21-24)12-6-5-7-20-9-12/h5-10H,11H2,1-4H3.
What are the key properties of N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine?
N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine has a molecular weight of 339.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetramethyl-2-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]prop-1-ene-1,3-diamine is sourced from PubChem (CID 91173131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).