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

C12H20F2N4O — CID 19584425

IUPACN-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C12H20F2N4O/c1-3-17(4-2)8-5-7-15-11(19)10-6-9-18(16-10)12(13)14/h6,9,12H,3-5,7-8H2,1-2H3,(H,15,19)
InChIKeyKANQZRDWYASVBT-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.74
Rot. Bonds8

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

N-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 19584425) has the molecular formula C12H20F2N4O and a molecular weight of 274.31 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID19584425
Molecular FormulaC12H20F2N4O
Molecular Weight274.31 g/mol
Exact Mass274.16
IUPAC NameN-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C12H20F2N4O/c1-3-17(4-2)8-5-7-15-11(19)10-6-9-18(16-10)12(13)14/h6,9,12H,3-5,7-8H2,1-2H3,(H,15,19)
InChIKeyKANQZRDWYASVBT-UHFFFAOYSA-N
XLogP1.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-methyl-3-(1-piperidinylcarbonyl)-1H-pyrazole-1-carboxamide
CID 874546
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 55276477
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
1-methyl-1H-pyrazole-3-carbohydrazide
CID 955611
4-amino-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 19620408

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide (CID 19584425) is N-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide is CCN(CC)CCCNC(=O)c1ccn(C(F)F)n1.
What is the InChIKey of N-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is KANQZRDWYASVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4O/c1-3-17(4-2)8-5-7-15-11(19)10-6-9-18(16-10)12(13)14/h6,9,12H,3-5,7-8H2,1-2H3,(H,15,19).
What are the key properties of N-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide?
N-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 274.31 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-1-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19584425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).