N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C12H19F3N4O — CID 19508355

IUPACN-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H19F3N4O/c1-3-19(4-2)7-5-6-16-11(20)9-8-10(18-17-9)12(13,14)15/h8H,3-7H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyUCNAXEMRVSUNGU-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.89
Rot. Bonds7

About N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508355) has the molecular formula C12H19F3N4O and a molecular weight of 292.30 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19508355
Molecular FormulaC12H19F3N4O
Molecular Weight292.30 g/mol
Exact Mass292.15
IUPAC NameN-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCCNC(=O)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C12H19F3N4O/c1-3-19(4-2)7-5-6-16-11(20)9-8-10(18-17-9)12(13,14)15/h8H,3-7H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyUCNAXEMRVSUNGU-UHFFFAOYSA-N
XLogP1.89
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)butyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 110484320
N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508149
3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
N-[(1-ethylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508279
N,N-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 1229878
N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19282025
N-[[2-chloro-5-(methylamino)phenyl]methyl]-N-[2-(diethylamino)ethyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 130312926
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbohydrazide
CID 178112245
3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
4-amino-N-[3-(diethylamino)propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62081384
4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43642296

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19508355) is N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is CCN(CC)CCCNC(=O)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is UCNAXEMRVSUNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-3-19(4-2)7-5-6-16-11(20)9-8-10(18-17-9)12(13,14)15/h8H,3-7H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).