N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide

C17H23FN4O2 — CID 42109762

IUPACN-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCN(C)C
InChIInChI=1S/C17H23FN4O2/c1-4-11-24-15-12-22(14-7-5-13(18)6-8-14)20-16(15)17(23)19-9-10-21(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,19,23)
InChIKeyXNIBSQGTDJONBO-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.09
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide (PubChem CID 42109762) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide
PubChem CID42109762
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC NameN-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide
SMILESCCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCN(C)C
InChIInChI=1S/C17H23FN4O2/c1-4-11-24-15-12-22(14-7-5-13(18)6-8-14)20-16(15)17(23)19-9-10-21(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,19,23)
InChIKeyXNIBSQGTDJONBO-UHFFFAOYSA-N
XLogP2.09
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 42109714
1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
CID 42109759
1-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-4-propoxypyrazole-3-carboxamide
CID 42109765
4-[3-(dimethylamino)propoxy]-1-(4-fluorophenyl)pyrazole-3-carbonyl chloride
CID 87073658
4-ethoxy-1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]pyrazole-3-carboxamide
CID 42109745
1-(4-fluorophenyl)-4-(2-methoxyethoxy)pyrazole-3-carboxamide
CID 66610665
N-cyclopentyl-4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 45283984
4-ethoxy-1-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 30851412
[1-(4-fluorophenyl)-4-propoxypyrazol-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42109754
N-methylsulfonyl-1-phenyl-4-propoxypyrazole-3-carboxamide
CID 146154385
N-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide
CID 121061946
methyl 4-[[4-ethoxy-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]benzoate
CID 42109731

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide (CID 42109762) is N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide is CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide?
The InChIKey is XNIBSQGTDJONBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-4-11-24-15-12-22(14-7-5-13(18)6-8-14)20-16(15)17(23)19-9-10-21(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-(4-fluorophenyl)-4-propoxypyrazole-3-carboxamide is sourced from PubChem (CID 42109762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).