1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide

C17H23N5O2 — CID 110117850

IUPAC1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCc1cnc(C2(C)CCCCO2)nc1
InChIInChI=1S/C17H23N5O2/c1-12-14(11-22(3)21-12)15(23)18-8-13-9-19-16(20-10-13)17(2)6-4-5-7-24-17/h9-11H,4-8H2,1-3H3,(H,18,23)
InChIKeyYNQHQDVVJSCEBV-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.86
Rot. Bonds4

About 1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide

1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide (PubChem CID 110117850) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
PubChem CID110117850
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NCc1cnc(C2(C)CCCCO2)nc1
InChIInChI=1S/C17H23N5O2/c1-12-14(11-22(3)21-12)15(23)18-8-13-9-19-16(20-10-13)17(2)6-4-5-7-24-17/h9-11H,4-8H2,1-3H3,(H,18,23)
InChIKeyYNQHQDVVJSCEBV-UHFFFAOYSA-N
XLogP1.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide (CID 110117850) is 1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NCc1cnc(C2(C)CCCCO2)nc1.
What is the InChIKey of 1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is YNQHQDVVJSCEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-14(11-22(3)21-12)15(23)18-8-13-9-19-16(20-10-13)17(2)6-4-5-7-24-17/h9-11H,4-8H2,1-3H3,(H,18,23).
What are the key properties of 1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 110117850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).