N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

C14H19N5O3 — CID 77084061

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C14H19N5O3/c1-14(2,3)10-5-8(17-18-10)6-15-11(20)9-7-19(4)13(22)16-12(9)21/h5,7H,6H2,1-4H3,(H,15,20)(H,17,18)(H,16,21,22)
InChIKeyHVGUPHODHWLPBZ-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.02
Rot. Bonds3

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 77084061) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID77084061
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)c(=O)[nH]c1=O
InChIInChI=1S/C14H19N5O3/c1-14(2,3)10-5-8(17-18-10)6-15-11(20)9-7-19(4)13(22)16-12(9)21/h5,7H,6H2,1-4H3,(H,15,20)(H,17,18)(H,16,21,22)
InChIKeyHVGUPHODHWLPBZ-UHFFFAOYSA-N
XLogP0.02
TPSA112.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 77094219
N-[[4-(1,1-difluoroethyl)phenyl]methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 146131432
N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 25185739
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-chloroacetamide
CID 166430893
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 118786887
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
CID 91833520
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 118775393
1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide
CID 819273
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847144
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-hydroxy-4-methylsulfanylbutanamide
CID 118790764
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172657525
ethane;N-[(2E)-2-ethenylpenta-2,4-dienyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 156724431

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 77084061) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is Cn1cc(C(=O)NCc2cc(C(C)(C)C)n[nH]2)c(=O)[nH]c1=O.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is HVGUPHODHWLPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-14(2,3)10-5-8(17-18-10)6-15-11(20)9-7-19(4)13(22)16-12(9)21/h5,7H,6H2,1-4H3,(H,15,20)(H,17,18)(H,16,21,22).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 77084061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).