N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide

C21H29FN4O2 — CID 134016225

IUPACN-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)N(CCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C21H29FN4O2/c1-14(2)13-26-16(4)19(15(3)24-26)9-10-21(28)25(12-11-20(23)27)18-7-5-17(22)6-8-18/h5-8,14H,9-13H2,1-4H3,(H2,23,27)
InChIKeyJBGVJXNJPAPZMI-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.14
Rot. Bonds9

About N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide

N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide (PubChem CID 134016225) has the molecular formula C21H29FN4O2 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
PubChem CID134016225
Molecular FormulaC21H29FN4O2
Molecular Weight388.49 g/mol
Exact Mass388.23
IUPAC NameN-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)N(CCC(N)=O)c1ccc(F)cc1
InChIInChI=1S/C21H29FN4O2/c1-14(2)13-26-16(4)19(15(3)24-26)9-10-21(28)25(12-11-20(23)27)18-7-5-17(22)6-8-18/h5-8,14H,9-13H2,1-4H3,(H2,23,27)
InChIKeyJBGVJXNJPAPZMI-UHFFFAOYSA-N
XLogP3.14
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-ethyl-N-(2-methylphenyl)propanamide
CID 52564198
N'-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]-4-fluorobenzohydrazide
CID 46664095
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-pentylpropanamide
CID 55427067
3-(N-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]anilino)propanamide
CID 33014659
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(3-methylbutyl)propanamide
CID 55427160
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 55427279
2-[benzyl-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]amino]acetic acid
CID 119196717
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
CID 55594630
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 55981169
[2-(N-(3-amino-3-oxopropyl)-4-fluoroanilino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
CID 24526931
N-(3-amino-3-oxopropyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(4-fluorophenyl)propanamide
CID 134016193
4-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 56510894

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide (CID 134016225) is N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)N(CCC(N)=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide?
The InChIKey is JBGVJXNJPAPZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O2/c1-14(2)13-26-16(4)19(15(3)24-26)9-10-21(28)25(12-11-20(23)27)18-7-5-17(22)6-8-18/h5-8,14H,9-13H2,1-4H3,(H2,23,27).
What are the key properties of N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide?
N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide has a molecular weight of 388.49 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 134016225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).