N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide

C17H17N5O4 — CID 35325388

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESCn1c(NC(=O)c2ccn(COc3ccccc3)n2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H17N5O4/c1-20-14(10-15(23)21(2)17(20)25)18-16(24)13-8-9-22(19-13)11-26-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,24)
InChIKeyIVZFJWJTASNOOM-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.57
Rot. Bonds5

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide (PubChem CID 35325388) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
PubChem CID35325388
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
SMILESCn1c(NC(=O)c2ccn(COc3ccccc3)n2)cc(=O)n(C)c1=O
InChIInChI=1S/C17H17N5O4/c1-20-14(10-15(23)21(2)17(20)25)18-16(24)13-8-9-22(19-13)11-26-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,24)
InChIKeyIVZFJWJTASNOOM-UHFFFAOYSA-N
XLogP0.57
TPSA100.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-methylpyrazole-3-carboxamide
CID 35324678
1-(phenoxymethyl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 19271051
N-(2,4-difluorophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19581536
N-(5-chloro-2-hydroxyphenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271046
N-[1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271185
1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19271107
1-(phenoxymethyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19581546
N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271179
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 75358425
N-[(2-methylpyrazol-3-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271134
N-(1-benzyl-4-chloropyrazol-3-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271177
N-(3-methoxy-5-nitrophenyl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271102

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide (CID 35325388) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide is Cn1c(NC(=O)c2ccn(COc3ccccc3)n2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
The InChIKey is IVZFJWJTASNOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-20-14(10-15(23)21(2)17(20)25)18-16(24)13-8-9-22(19-13)11-26-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,18,24).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 35325388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).