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

C21H27FN6O — CID 47926718

IUPACN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cnn(CCN(CC)CC)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H27FN6O/c1-4-20-19(14-24-28(20)18-9-7-16(22)8-10-18)21(29)25-17-13-23-27(15-17)12-11-26(5-2)6-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,25,29)
InChIKeyYVCLMWANYPLFLE-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.36
Rot. Bonds9

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

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 47926718) 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]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID47926718
Molecular FormulaC21H27FN6O
Molecular Weight398.49 g/mol
Exact Mass398.22
IUPAC NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cnn(CCN(CC)CC)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H27FN6O/c1-4-20-19(14-24-28(20)18-9-7-16(22)8-10-18)21(29)25-17-13-23-27(15-17)12-11-26(5-2)6-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,25,29)
InChIKeyYVCLMWANYPLFLE-UHFFFAOYSA-N
XLogP3.36
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 47927121
4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide
CID 47076856
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883
N-(3,4-dimethoxyphenyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31900906
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 55799776
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55835401
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
2-[2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241427
N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31889145

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (CID 47926718) is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is CCc1c(C(=O)Nc2cnn(CCN(CC)CC)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is YVCLMWANYPLFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O/c1-4-20-19(14-24-28(20)18-9-7-16(22)8-10-18)21(29)25-17-13-23-27(15-17)12-11-26(5-2)6-3/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,25,29).
What are the key properties of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.36, 9 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]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 47926718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).