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

C12H14F3N5O — CID 19466863

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H14F3N5O/c1-6(8-5-20(3)19-7(8)2)16-11(21)9-4-10(18-17-9)12(13,14)15/h4-6H,1-3H3,(H,16,21)(H,17,18)
InChIKeyQXFWARGDAVNARL-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.96
Rot. Bonds3

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

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19466863) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19466863
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H14F3N5O/c1-6(8-5-20(3)19-7(8)2)16-11(21)9-4-10(18-17-9)12(13,14)15/h4-6H,1-3H3,(H,16,21)(H,17,18)
InChIKeyQXFWARGDAVNARL-UHFFFAOYSA-N
XLogP1.96
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19466863) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is Cc1nn(C)cc1C(C)NC(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is QXFWARGDAVNARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-6(8-5-20(3)19-7(8)2)16-11(21)9-4-10(18-17-9)12(13,14)15/h4-6H,1-3H3,(H,16,21)(H,17,18).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19466863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).