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

C15H19N5O2 — CID 155901427

IUPAC1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cnc(C3CCCCO3)nc2)cn1
InChIInChI=1S/C15H19N5O2/c1-20-10-12(9-19-20)15(21)18-8-11-6-16-14(17-7-11)13-4-2-3-5-22-13/h6-7,9-10,13H,2-5,8H2,1H3,(H,18,21)
InChIKeyDWXDSOLRQVWYMK-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.38
Rot. Bonds4

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

1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide (PubChem CID 155901427) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
PubChem CID155901427
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2cnc(C3CCCCO3)nc2)cn1
InChIInChI=1S/C15H19N5O2/c1-20-10-12(9-19-20)15(21)18-8-11-6-16-14(17-7-11)13-4-2-3-5-22-13/h6-7,9-10,13H,2-5,8H2,1H3,(H,18,21)
InChIKeyDWXDSOLRQVWYMK-UHFFFAOYSA-N
XLogP1.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(diethylaminomethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methoxypiperidin-1-yl]methanone
CID 95212994
2-ethyl-N-methyl-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97190610
2-isopropyl-N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}pyrimidine-5-carboxamide
CID 118783041
N-[[2-(5-fluoropyrimidin-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 133144915
6-[(diethylamino)methyl]-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56738274
1-ethyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 110117740
1-ethyl-3-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 110117741
N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110117846
1-ethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 110117849
1,3-dimethyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 110117850
1-methyl-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide
CID 110117876
N-(methoxymethyl)-1-(5-methyl-4-piperidin-1-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 67390542

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide (CID 155901427) is 1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2cnc(C3CCCCO3)nc2)cn1.
What is the InChIKey of 1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is DWXDSOLRQVWYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-20-10-12(9-19-20)15(21)18-8-11-6-16-14(17-7-11)13-4-2-3-5-22-13/h6-7,9-10,13H,2-5,8H2,1H3,(H,18,21).
What are the key properties of 1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 155901427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).