N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide

C21H26N6O3 — CID 55883038

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc(C)nn2C)c(=O)[nH]c1=O
InChIInChI=1S/C21H26N6O3/c1-4-5-11-26-18(22)17(19(28)23-21(26)30)27(13-15-9-7-6-8-10-15)20(29)16-12-14(2)24-25(16)3/h6-10,12H,4-5,11,13,22H2,1-3H3,(H,23,28,30)
InChIKeyHMJDFSFZRIALGL-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.81
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 55883038) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide
PubChem CID55883038
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc(C)nn2C)c(=O)[nH]c1=O
InChIInChI=1S/C21H26N6O3/c1-4-5-11-26-18(22)17(19(28)23-21(26)30)27(13-15-9-7-6-8-10-15)20(29)16-12-14(2)24-25(16)3/h6-10,12H,4-5,11,13,22H2,1-3H3,(H,23,28,30)
InChIKeyHMJDFSFZRIALGL-UHFFFAOYSA-N
XLogP1.81
TPSA119.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide (CID 55883038) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide is CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc(C)nn2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is HMJDFSFZRIALGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-4-5-11-26-18(22)17(19(28)23-21(26)30)27(13-15-9-7-6-8-10-15)20(29)16-12-14(2)24-25(16)3/h6-10,12H,4-5,11,13,22H2,1-3H3,(H,23,28,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 55883038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).