N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

C21H27FN6O — CID 47927121

IUPACN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCCN(CC)CCn1cc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cn1
InChIInChI=1S/C21H27FN6O/c1-5-26(6-2)11-12-27-14-18(13-23-27)24-21(29)20-15(3)25-28(16(20)4)19-9-7-17(22)8-10-19/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,24,29)
InChIKeyHDEXRRNUSGGNON-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.42
Rot. Bonds8

About N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 47927121) has the molecular formula C21H27FN6O and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID47927121
Molecular FormulaC21H27FN6O
Molecular Weight398.49 g/mol
Exact Mass398.22
IUPAC NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCCN(CC)CCn1cc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cn1
InChIInChI=1S/C21H27FN6O/c1-5-26(6-2)11-12-27-14-18(13-23-27)24-21(29)20-15(3)25-28(16(20)4)19-9-7-17(22)8-10-19/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,24,29)
InChIKeyHDEXRRNUSGGNON-UHFFFAOYSA-N
XLogP3.42
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 47926718
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55835401
1-(4-fluorophenyl)-3,5-dimethyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25336520
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 41266192
4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide
CID 47076856
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 46671077
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477594
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 60593095
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 34333616
N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119507312
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 47927121) is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is CCN(CC)CCn1cc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cn1.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is HDEXRRNUSGGNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O/c1-5-26(6-2)11-12-27-14-18(13-23-27)24-21(29)20-15(3)25-28(16(20)4)19-9-7-17(22)8-10-19/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,24,29).
What are the key properties of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 47927121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).