N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C14H22F3N5O — CID 71967373

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)N1CCN(CC(F)(F)F)C(C)C1
InChIInChI=1S/C14H22F3N5O/c1-9-7-21(4-5-22(9)8-14(15,16)17)13(23)18-6-12-10(2)19-20-11(12)3/h9H,4-8H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyAFOUVKQADCFGRR-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.80
Rot. Bonds3

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 71967373) has the molecular formula C14H22F3N5O and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID71967373
Molecular FormulaC14H22F3N5O
Molecular Weight333.36 g/mol
Exact Mass333.18
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)N1CCN(CC(F)(F)F)C(C)C1
InChIInChI=1S/C14H22F3N5O/c1-9-7-21(4-5-22(9)8-14(15,16)17)13(23)18-6-12-10(2)19-20-11(12)3/h9H,4-8H2,1-3H3,(H,18,23)(H,19,20)
InChIKeyAFOUVKQADCFGRR-UHFFFAOYSA-N
XLogP1.80
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide with MolForge

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Related Compounds

1-cyclohexyl-3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 53544708
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[2-(trifluoromethyl)cyclohexyl]urea
CID 71932031
1-cyclopentyl-3-[[(3R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]methyl]urea
CID 95211564
(3S)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 97606960
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
CID 99949285
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 132383817
1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-fluoroethyl)urea
CID 87745112
1-[3-(Trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 89583878
3-(Trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 150504598
1-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea
CID 46397550
N-[(3,5-dimethyl-1h-pyrazol-4-yl)(r)methyl]urea
CID 130671473
N-pentyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56793074

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 71967373) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is Cc1n[nH]c(C)c1CNC(=O)N1CCN(CC(F)(F)F)C(C)C1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is AFOUVKQADCFGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O/c1-9-7-21(4-5-22(9)8-14(15,16)17)13(23)18-6-12-10(2)19-20-11(12)3/h9H,4-8H2,1-3H3,(H,18,23)(H,19,20).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71967373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).