N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C12H18F3N5O — CID 132970898

IUPACN-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCCn1nccc1NC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H18F3N5O/c1-2-20-10(3-4-16-20)17-11(21)19-7-5-18(6-8-19)9-12(13,14)15/h3-4H,2,5-9H2,1H3,(H,17,21)
InChIKeyZRGANQKVEXKRRP-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.61
Rot. Bonds3

About N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 132970898) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID132970898
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC NameN-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCCn1nccc1NC(=O)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H18F3N5O/c1-2-20-10(3-4-16-20)17-11(21)19-7-5-18(6-8-19)9-12(13,14)15/h3-4H,2,5-9H2,1H3,(H,17,21)
InChIKeyZRGANQKVEXKRRP-UHFFFAOYSA-N
XLogP1.61
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 132970898) is N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CCn1nccc1NC(=O)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is ZRGANQKVEXKRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-2-20-10(3-4-16-20)17-11(21)19-7-5-18(6-8-19)9-12(13,14)15/h3-4H,2,5-9H2,1H3,(H,17,21).
What are the key properties of N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 305.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylpyrazol-3-yl)-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 132970898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).