N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide

C19H26FN3O2 — CID 110000495

IUPACN-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCCO)CC(C)(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c1-14-12-17(21-23(14)16-8-6-15(20)7-9-16)18(25)22(10-5-11-24)13-19(2,3)4/h6-9,12,24H,5,10-11,13H2,1-4H3
InChIKeyKBNPAVQHRGVOJL-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.19
Rot. Bonds6

About N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide

N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide (PubChem CID 110000495) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide
PubChem CID110000495
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(CCCO)CC(C)(C)C)nn1-c1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c1-14-12-17(21-23(14)16-8-6-15(20)7-9-16)18(25)22(10-5-11-24)13-19(2,3)4/h6-9,12,24H,5,10-11,13H2,1-4H3
InChIKeyKBNPAVQHRGVOJL-UHFFFAOYSA-N
XLogP3.19
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883
1-(4-fluorophenyl)-N,5-dimethyl-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 99606683
1-(4-fluorophenyl)-N,5-dimethyl-N-[2-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 86816453
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55757023
N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 100676394
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-3-carboxamide
CID 110372894
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-piperazin-1-ylmethanone
CID 154744491
N-[4-(4-fluorophenoxy)butyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55760014
1-(2,2-dimethylpropyl)-1-(3-hydroxypropyl)-3-(4-pyrazol-1-ylphenyl)urea
CID 111107474
[1-(4-fluorophenyl)-5-methylpyrazol-3-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698662
5-amino-N-butyl-1-(4-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 82188861
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
CID 113339465

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide (CID 110000495) is N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)N(CCCO)CC(C)(C)C)nn1-c1ccc(F)cc1.
What is the InChIKey of N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is KBNPAVQHRGVOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-14-12-17(21-23(14)16-8-6-15(20)7-9-16)18(25)22(10-5-11-24)13-19(2,3)4/h6-9,12,24H,5,10-11,13H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide?
N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-1-(4-fluorophenyl)-N-(3-hydroxypropyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110000495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).