N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C14H16F3N5O — CID 118794667

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C14H16F3N5O/c1-21(7-9-5-10(19-18-9)8-3-4-8)13(23)11-6-12(14(15,16)17)22(2)20-11/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyJDGMCHWFNVWIJK-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.31
Rot. Bonds4

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 118794667) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID118794667
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)c1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C14H16F3N5O/c1-21(7-9-5-10(19-18-9)8-3-4-8)13(23)11-6-12(14(15,16)17)22(2)20-11/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyJDGMCHWFNVWIJK-UHFFFAOYSA-N
XLogP2.31
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 118794667) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is CN(Cc1cc(C2CC2)n[nH]1)C(=O)c1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is JDGMCHWFNVWIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-21(7-9-5-10(19-18-9)8-3-4-8)13(23)11-6-12(14(15,16)17)22(2)20-11/h5-6,8H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 118794667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).