4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C17H20N4O4 — CID 166236379

IUPAC4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(N)=O)c1NC(=O)c1cccc(C2OCCO2)c1
InChIInChI=1S/C17H20N4O4/c1-9(2)12-13(14(15(18)22)21-20-12)19-16(23)10-4-3-5-11(8-10)17-24-6-7-25-17/h3-5,8-9,17H,6-7H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)
InChIKeyNIZANMHCHKJAIY-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.93
Rot. Bonds5

About 4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 166236379) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID166236379
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(N)=O)c1NC(=O)c1cccc(C2OCCO2)c1
InChIInChI=1S/C17H20N4O4/c1-9(2)12-13(14(15(18)22)21-20-12)19-16(23)10-4-3-5-11(8-10)17-24-6-7-25-17/h3-5,8-9,17H,6-7H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21)
InChIKeyNIZANMHCHKJAIY-UHFFFAOYSA-N
XLogP1.93
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

4-[[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 138989744
(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911920
1-[3-(1,3-dioxan-2-yl)phenyl]ethanone
CID 59248607
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
(3S)-3-amino-4-[(3-carbamoyl-5-propan-2-yl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 166334432
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 106913178
3-(1,3-dioxolan-2-yl)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 75392204
6-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-3-carboxamide
CID 106911694
(2S)-3-[3-(1,3-dioxolan-2-yl)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)-3-oxopropanenitrile
CID 97252320
4-bromo-N-[3-[(3-hydroxybenzoyl)amino]propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564965
[3-(1,3-dioxolan-2-yl)phenyl]-(3,4,5-trifluorophenyl)methanone
CID 24726696
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(1,3-dioxolan-2-yl)benzoate
CID 97246711

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 166236379) is 4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(N)=O)c1NC(=O)c1cccc(C2OCCO2)c1.
What is the InChIKey of 4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is NIZANMHCHKJAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-9(2)12-13(14(15(18)22)21-20-12)19-16(23)10-4-3-5-11(8-10)17-24-6-7-25-17/h3-5,8-9,17H,6-7H2,1-2H3,(H2,18,22)(H,19,23)(H,20,21).
What are the key properties of 4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1,3-dioxolan-2-yl)benzoyl]amino]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 166236379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).