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

C17H23N5O2 — CID 110117849

IUPAC1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cnc(C3(C)CCCCO3)nc2)cn1
InChIInChI=1S/C17H23N5O2/c1-3-22-12-14(11-21-22)15(23)18-8-13-9-19-16(20-10-13)17(2)6-4-5-7-24-17/h9-12H,3-8H2,1-2H3,(H,18,23)
InChIKeyWVMRDDKUXFMKBH-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.04
Rot. Bonds5

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

1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide (PubChem CID 110117849) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
PubChem CID110117849
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2cnc(C3(C)CCCCO3)nc2)cn1
InChIInChI=1S/C17H23N5O2/c1-3-22-12-14(11-21-22)15(23)18-8-13-9-19-16(20-10-13)17(2)6-4-5-7-24-17/h9-12H,3-8H2,1-2H3,(H,18,23)
InChIKeyWVMRDDKUXFMKBH-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide (CID 110117849) is 1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NCc2cnc(C3(C)CCCCO3)nc2)cn1.
What is the InChIKey of 1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is WVMRDDKUXFMKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-22-12-14(11-21-22)15(23)18-8-13-9-19-16(20-10-13)17(2)6-4-5-7-24-17/h9-12H,3-8H2,1-2H3,(H,18,23).
What are the key properties of 1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 110117849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).