N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide

C17H23N5O2 — CID 125024972

IUPACN-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)n1
InChIInChI=1S/C17H23N5O2/c1-2-7-22-8-6-14(21-22)17(23)20-12-13-10-18-16(19-11-13)15-5-3-4-9-24-15/h6,8,10-11,15H,2-5,7,9,12H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyZJIBAFTYZDIKLB-OAHLLOKOSA-N
MW329.40 g/mol
LogP2.25
Rot. Bonds6

About N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide

N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide (PubChem CID 125024972) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide
PubChem CID125024972
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)n1
InChIInChI=1S/C17H23N5O2/c1-2-7-22-8-6-14(21-22)17(23)20-12-13-10-18-16(19-11-13)15-5-3-4-9-24-15/h6,8,10-11,15H,2-5,7,9,12H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyZJIBAFTYZDIKLB-OAHLLOKOSA-N
XLogP2.25
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]pyrazine-2-carboxamide
CID 124956730
N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 110117756
5-methyl-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]-1,2-oxazole-3-carboxamide
CID 110117708
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124955120
4-[(dimethylamino)methyl]-N-[[2-(oxan-2-yl)pyrimidin-5-yl]methyl]benzamide
CID 110117770
4-[(dimethylamino)methyl]-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124945377
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]thiophene-3-carboxamide
CID 124949882
4-methyl-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-oxazole-5-carboxamide
CID 124977574
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124954332
4-methyl-N-[[2-[(2S)-oxan-2-yl]pyrimidin-5-yl]methyl]-1,3-thiazole-5-carboxamide
CID 125023729
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-5-propan-2-ylthiophene-3-carboxamide
CID 124973943
3-(methoxymethyl)-N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124979072

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide?
The IUPAC name of N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide (CID 125024972) is N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide is CCCn1ccc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)n1.
What is the InChIKey of N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide?
The InChIKey is ZJIBAFTYZDIKLB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-7-22-8-6-14(21-22)17(23)20-12-13-10-18-16(19-11-13)15-5-3-4-9-24-15/h6,8,10-11,15H,2-5,7,9,12H2,1H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide?
N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]-1-propylpyrazole-3-carboxamide is sourced from PubChem (CID 125024972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).