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

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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).