N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide

C15H19FN4O — CID 102801026

IUPACN-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C15H19FN4O/c1-11-14(10-19(2)18-11)15(21)20(9-3-8-17)13-6-4-12(16)5-7-13/h4-7,10H,3,8-9,17H2,1-2H3
InChIKeyHQNVWZBQOSEWJI-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.86
Rot. Bonds5

About N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 102801026) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID102801026
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC NameN-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C15H19FN4O/c1-11-14(10-19(2)18-11)15(21)20(9-3-8-17)13-6-4-12(16)5-7-13/h4-7,10H,3,8-9,17H2,1-2H3
InChIKeyHQNVWZBQOSEWJI-UHFFFAOYSA-N
XLogP1.86
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
CID 28767388
N-(3-aminopropyl)-N-(4-fluorophenyl)-3-hydroxypyridine-4-carboxamide
CID 81440121
1-(3-aminopropyl)-1-(4-fluorophenyl)urea
CID 43136215
1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
CID 79154007
N-(3-aminopropyl)-N-cyclopentyl-1,3-dimethylpyrazole-4-carboxamide
CID 102801032
N-(3-aminophenyl)-1,3-dimethyl-N-propylpyrazole-4-carboxamide
CID 102801161
4-amino-N-ethyl-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65354287
N-(2-aminoethyl)-2-fluoro-N-(4-fluorophenyl)benzamide
CID 28769276
N-(4-carbamothioylphenyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 102801557
N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide
CID 104668847
N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
CID 28769273
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 102801026) is N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)N(CCCN)c1ccc(F)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is HQNVWZBQOSEWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-11-14(10-19(2)18-11)15(21)20(9-3-8-17)13-6-4-12(16)5-7-13/h4-7,10H,3,8-9,17H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102801026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).