3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide

C8H11F2N3O — CID 176912979

IUPAC3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C(F)F)c1C(=O)N(C)C
InChIInChI=1S/C8H11F2N3O/c1-4-5(8(14)13(2)3)6(7(9)10)12-11-4/h7H,1-3H3,(H,11,12)
InChIKeyHCAMRYVPZKBFSM-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.36
Rot. Bonds2

About 3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide

3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide (PubChem CID 176912979) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide
PubChem CID176912979
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C(F)F)c1C(=O)N(C)C
InChIInChI=1S/C8H11F2N3O/c1-4-5(8(14)13(2)3)6(7(9)10)12-11-4/h7H,1-3H3,(H,11,12)
InChIKeyHCAMRYVPZKBFSM-UHFFFAOYSA-N
XLogP1.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide (CID 176912979) is 3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide is Cc1[nH]nc(C(F)F)c1C(=O)N(C)C.
What is the InChIKey of 3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is HCAMRYVPZKBFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-4-5(8(14)13(2)3)6(7(9)10)12-11-4/h7H,1-3H3,(H,11,12).
What are the key properties of 3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide?
3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 203.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N,N,5-trimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 176912979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).