N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide

C12H14F3N5O — CID 127266991

IUPACN-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NCc2ccc(C(F)(F)F)[nH]2)cn1
InChIInChI=1S/C12H14F3N5O/c1-16-11(21)7-20-6-9(5-18-20)17-4-8-2-3-10(19-8)12(13,14)15/h2-3,5-6,17,19H,4,7H2,1H3,(H,16,21)
InChIKeyJLLJZYAKIOJGNV-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.59
Rot. Bonds5

About N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide

N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide (PubChem CID 127266991) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide
PubChem CID127266991
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC NameN-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide
SMILESCNC(=O)Cn1cc(NCc2ccc(C(F)(F)F)[nH]2)cn1
InChIInChI=1S/C12H14F3N5O/c1-16-11(21)7-20-6-9(5-18-20)17-4-8-2-3-10(19-8)12(13,14)15/h2-3,5-6,17,19H,4,7H2,1H3,(H,16,21)
InChIKeyJLLJZYAKIOJGNV-UHFFFAOYSA-N
XLogP1.59
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-bromofuran-2-yl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 54866454
N-methyl-2-[4-(pyrimidin-5-ylmethylamino)pyrazol-1-yl]acetamide
CID 62760481
2-[4-[(2,4-difluorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931443
2-[4-[(3,5-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60932423
tert-butyl N-[2-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]ethyl]carbamate
CID 115606254
2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 79968644
N-methyl-2-[4-[(3-methylfuran-2-yl)methylamino]pyrazol-1-yl]acetamide
CID 113243090
2-[4-(hexylamino)pyrazol-1-yl]-N-methylacetamide
CID 54866489
N-methyl-2-[4-(3-methylsulfanylpropylamino)pyrazol-1-yl]acetamide
CID 60932429
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 60931328
2-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 78928765
2-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyrazol-1-yl]-N-methylacetamide
CID 81419518

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide (CID 127266991) is N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide is CNC(=O)Cn1cc(NCc2ccc(C(F)(F)F)[nH]2)cn1.
What is the InChIKey of N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide?
The InChIKey is JLLJZYAKIOJGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-16-11(21)7-20-6-9(5-18-20)17-4-8-2-3-10(19-8)12(13,14)15/h2-3,5-6,17,19H,4,7H2,1H3,(H,16,21).
What are the key properties of N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide?
N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide has a molecular weight of 301.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[[5-(trifluoromethyl)-1H-pyrrol-2-yl]methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 127266991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).