(2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C21H25F3N6 — CID 68966582

IUPAC(2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC[C@@H]1CN(Cc2cn(C)nc2-c2cccn2C)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H25F3N6/c1-15-12-29(9-10-30(15)19-7-6-17(11-25-19)21(22,23)24)14-16-13-28(3)26-20(16)18-5-4-8-27(18)2/h4-8,11,13,15H,9-10,12,14H2,1-3H3/t15-/m1/s1
InChIKeyTZMPOTYEHWERMJ-OAHLLOKOSA-N
MW418.47 g/mol
LogP3.55
Rot. Bonds4

About (2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

(2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 68966582) has the molecular formula C21H25F3N6 and a molecular weight of 418.47 g/mol. Its IUPAC name is (2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name(2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID68966582
Molecular FormulaC21H25F3N6
Molecular Weight418.47 g/mol
Exact Mass418.21
IUPAC Name(2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESC[C@@H]1CN(Cc2cn(C)nc2-c2cccn2C)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C21H25F3N6/c1-15-12-29(9-10-30(15)19-7-6-17(11-25-19)21(22,23)24)14-16-13-28(3)26-20(16)18-5-4-8-27(18)2/h4-8,11,13,15H,9-10,12,14H2,1-3H3/t15-/m1/s1
InChIKeyTZMPOTYEHWERMJ-OAHLLOKOSA-N
XLogP3.55
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 68974160
5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,2-oxazole
CID 68974333
5-[4-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]-1,3-oxazole
CID 68975381
[4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]methanesulfinate
CID 175259408
(2R)-2-methyl-4-[[5-[4-(2H-tetrazol-5-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 24866963
4-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-2-carboxamide
CID 135915152
2-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-benzimidazole
CID 135985537
5-[4-[[(3S)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 25141797
4-[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methyl]-1-(6-fluoro-2-pyridinyl)-2-methylpiperazine
CID 172904932
methyl 5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]furan-2-carboxylate
CID 58486589
1-[5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrol-3-yl]ethanone
CID 135985543
4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]piperazine-2-carbaldehyde
CID 174585936

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of (2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 68966582) is (2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for (2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for (2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is C[C@@H]1CN(Cc2cn(C)nc2-c2cccn2C)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of (2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is TZMPOTYEHWERMJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25F3N6/c1-15-12-29(9-10-30(15)19-7-6-17(11-25-19)21(22,23)24)14-16-13-28(3)26-20(16)18-5-4-8-27(18)2/h4-8,11,13,15H,9-10,12,14H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
(2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 418.47 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[[1-methyl-3-(1-methylpyrrol-2-yl)pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 68966582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).