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

C10H11N5O3 — CID 54896283

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N5O3/c1-5-6(4-12-15-5)3-11-9(17)7-2-8(16)14-10(18)13-7/h2,4H,3H2,1H3,(H,11,17)(H,12,15)(H2,13,14,16,18)
InChIKeyMDFMPKOYTXEIOA-UHFFFAOYSA-N
MW249.23 g/mol
LogP-0.98
Rot. Bonds3

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

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 54896283) has the molecular formula C10H11N5O3 and a molecular weight of 249.23 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID54896283
Molecular FormulaC10H11N5O3
Molecular Weight249.23 g/mol
Exact Mass249.09
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H11N5O3/c1-5-6(4-12-15-5)3-11-9(17)7-2-8(16)14-10(18)13-7/h2,4H,3H2,1H3,(H,11,17)(H,12,15)(H2,13,14,16,18)
InChIKeyMDFMPKOYTXEIOA-UHFFFAOYSA-N
XLogP-0.98
TPSA123.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 61140004
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 60768162
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698232
N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698237
N-[(2-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 61413769
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736020
3,4,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 63186397
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
CID 61022740
2,3-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 61021913
N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 61022281
3,6-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 103428946

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 54896283) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1[nH]ncc1CNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is MDFMPKOYTXEIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3/c1-5-6(4-12-15-5)3-11-9(17)7-2-8(16)14-10(18)13-7/h2,4H,3H2,1H3,(H,11,17)(H,12,15)(H2,13,14,16,18).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 249.23 g/mol, XLogP of -0.98, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 54896283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).