N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C17H17N5O3 — CID 46992492

IUPACN-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1cccc(Cn2ncc(C)c2NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C17H17N5O3/c1-10-4-3-5-12(6-10)9-22-15(11(2)8-18-22)21-16(24)13-7-14(23)20-17(25)19-13/h3-8H,9H2,1-2H3,(H,21,24)(H2,19,20,23,25)
InChIKeyJWWUIPCKZCTHSX-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.18
Rot. Bonds4

About N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 46992492) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID46992492
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1cccc(Cn2ncc(C)c2NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1
InChIInChI=1S/C17H17N5O3/c1-10-4-3-5-12(6-10)9-22-15(11(2)8-18-22)21-16(24)13-7-14(23)20-17(25)19-13/h3-8H,9H2,1-2H3,(H,21,24)(H2,19,20,23,25)
InChIKeyJWWUIPCKZCTHSX-UHFFFAOYSA-N
XLogP1.18
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 46992492) is N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1cccc(Cn2ncc(C)c2NC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1.
What is the InChIKey of N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is JWWUIPCKZCTHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-10-4-3-5-12(6-10)9-22-15(11(2)8-18-22)21-16(24)13-7-14(23)20-17(25)19-13/h3-8H,9H2,1-2H3,(H,21,24)(H2,19,20,23,25).
What are the key properties of N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 46992492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).