N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide

C11H18F2N4O — CID 19264128

IUPACN-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C11H18F2N4O/c1-3-16(4-2)8-6-14-10(18)9-5-7-17(15-9)11(12)13/h5,7,11H,3-4,6,8H2,1-2H3,(H,14,18)
InChIKeyOABNQVVBGFPQFM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.35
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide

N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 19264128) has the molecular formula C11H18F2N4O and a molecular weight of 260.29 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID19264128
Molecular FormulaC11H18F2N4O
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC NameN-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C11H18F2N4O/c1-3-16(4-2)8-6-14-10(18)9-5-7-17(15-9)11(12)13/h5,7,11H,3-4,6,8H2,1-2H3,(H,14,18)
InChIKeyOABNQVVBGFPQFM-UHFFFAOYSA-N
XLogP1.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 5241870
N-[2-(diethylamino)ethyl]-6-fluoropyridine-2-carboxamide
CID 115496571
2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623448
1-(difluoromethyl)-N-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]pyrazole-3-carboxamide
CID 90651872
1-(difluoromethyl)-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]pyrazole-3-carboxamide
CID 19282073
N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273294
N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276378
1-(difluoromethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19268483
N-[2-(diethylamino)ethyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280115
1-(difluoromethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]pyrazole-3-carboxamide
CID 122565606
N-[2-(diethylamino)ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
CID 121114224
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(diethylamino)ethyl]pyrazole-3-carboxamide
CID 19275493

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide (CID 19264128) is N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide is CCN(CC)CCNC(=O)c1ccn(C(F)F)n1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is OABNQVVBGFPQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O/c1-3-16(4-2)8-6-14-10(18)9-5-7-17(15-9)11(12)13/h5,7,11H,3-4,6,8H2,1-2H3,(H,14,18).
What are the key properties of N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19264128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).