N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide

C26H33FN4O2 — CID 4563606

IUPACN-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C26H33FN4O2/c1-5-30(6-2)17-7-8-19(3)28-26(32)25-18-24(20-9-15-23(33-4)16-10-20)29-31(25)22-13-11-21(27)12-14-22/h9-16,18-19H,5-8,17H2,1-4H3,(H,28,32)
InChIKeyPEPNGJBVYROHOA-UHFFFAOYSA-N
MW452.57 g/mol
LogP4.93
Rot. Bonds11

About N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide

N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide (PubChem CID 4563606) has the molecular formula C26H33FN4O2 and a molecular weight of 452.57 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
PubChem CID4563606
Molecular FormulaC26H33FN4O2
Molecular Weight452.57 g/mol
Exact Mass452.26
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(F)cc1
InChIInChI=1S/C26H33FN4O2/c1-5-30(6-2)17-7-8-19(3)28-26(32)25-18-24(20-9-15-23(33-4)16-10-20)29-31(25)22-13-11-21(27)12-14-22/h9-16,18-19H,5-8,17H2,1-4H3,(H,28,32)
InChIKeyPEPNGJBVYROHOA-UHFFFAOYSA-N
XLogP4.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42755258
N-(1,2-diphenylethyl)-3-(4-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4273385
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3940824
N-[(2R)-butan-2-yl]-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 7412332
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
3-(4-methoxyphenyl)-1-(4-methylphenyl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 42755289
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 5026916
3-(2-fluorophenyl)-1-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42754820
N-butyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 42755291
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382
N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 7431429

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide (CID 4563606) is N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide is CCN(CC)CCCC(C)NC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(F)cc1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
The InChIKey is PEPNGJBVYROHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O2/c1-5-30(6-2)17-7-8-19(3)28-26(32)25-18-24(20-9-15-23(33-4)16-10-20)29-31(25)22-13-11-21(27)12-14-22/h9-16,18-19H,5-8,17H2,1-4H3,(H,28,32).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide has a molecular weight of 452.57 g/mol, XLogP of 4.93, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4563606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).