1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide

C17H23N5O2 — CID 110117741

IUPAC1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cnc(C3CCCCO3)nc2)c(C)n1
InChIInChI=1S/C17H23N5O2/c1-3-22-11-14(12(2)21-22)17(23)20-10-13-8-18-16(19-9-13)15-6-4-5-7-24-15/h8-9,11,15H,3-7,10H2,1-2H3,(H,20,23)
InChIKeyBKHVUDPGSDXAEK-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.17
Rot. Bonds5

About 1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide

1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide (PubChem CID 110117741) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
PubChem CID110117741
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cnc(C3CCCCO3)nc2)c(C)n1
InChIInChI=1S/C17H23N5O2/c1-3-22-11-14(12(2)21-22)17(23)20-10-13-8-18-16(19-9-13)15-6-4-5-7-24-15/h8-9,11,15H,3-7,10H2,1-2H3,(H,20,23)
InChIKeyBKHVUDPGSDXAEK-UHFFFAOYSA-N
XLogP2.17
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide (CID 110117741) is 1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NCc2cnc(C3CCCCO3)nc2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is BKHVUDPGSDXAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-22-11-14(12(2)21-22)17(23)20-10-13-8-18-16(19-9-13)15-6-4-5-7-24-15/h8-9,11,15H,3-7,10H2,1-2H3,(H,20,23).
What are the key properties of 1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 110117741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).