N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C13H16F3N5O — CID 17020976

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2cc(C(F)(F)F)n(C)n2)cn1
InChIInChI=1S/C13H16F3N5O/c1-4-21-8-9(6-17-21)7-19(2)12(22)10-5-11(13(14,15)16)20(3)18-10/h5-6,8H,4,7H2,1-3H3
InChIKeyHDVREAJXUJIUAP-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.93
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 17020976) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID17020976
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2cc(C(F)(F)F)n(C)n2)cn1
InChIInChI=1S/C13H16F3N5O/c1-4-21-8-9(6-17-21)7-19(2)12(22)10-5-11(13(14,15)16)20(3)18-10/h5-6,8H,4,7H2,1-3H3
InChIKeyHDVREAJXUJIUAP-UHFFFAOYSA-N
XLogP1.93
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 17020976) is N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is CCn1cc(CN(C)C(=O)c2cc(C(F)(F)F)n(C)n2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is HDVREAJXUJIUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-4-21-8-9(6-17-21)7-19(2)12(22)10-5-11(13(14,15)16)20(3)18-10/h5-6,8H,4,7H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 17020976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).