N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C13H16F3N5O — CID 19508205

IUPACN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2cc(C(F)(F)F)[nH]n2)c(C)n1
InChIInChI=1S/C13H16F3N5O/c1-4-21-6-9(8(3)20-21)7(2)17-12(22)10-5-11(19-18-10)13(14,15)16/h5-7H,4H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyZSSKJWSOZXRWHG-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.44
Rot. Bonds4

About N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508205) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19508205
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC NameN-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2cc(C(F)(F)F)[nH]n2)c(C)n1
InChIInChI=1S/C13H16F3N5O/c1-4-21-6-9(8(3)20-21)7(2)17-12(22)10-5-11(19-18-10)13(14,15)16/h5-7H,4H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyZSSKJWSOZXRWHG-UHFFFAOYSA-N
XLogP2.44
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19508205) is N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CCn1cc(C(C)NC(=O)c2cc(C(F)(F)F)[nH]n2)c(C)n1.
What is the InChIKey of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ZSSKJWSOZXRWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-4-21-6-9(8(3)20-21)7(2)17-12(22)10-5-11(19-18-10)13(14,15)16/h5-7H,4H2,1-3H3,(H,17,22)(H,18,19).
What are the key properties of N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).