5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide

C15H20N6O2 — CID 138036782

IUPAC5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCOc1c(C(=O)NC2CCCN(c3ncccn3)C2)cnn1C
InChIInChI=1S/C15H20N6O2/c1-20-14(23-2)12(9-18-20)13(22)19-11-5-3-8-21(10-11)15-16-6-4-7-17-15/h4,6-7,9,11H,3,5,8,10H2,1-2H3,(H,19,22)
InChIKeyMCGPAWQDHMNKFI-UHFFFAOYSA-N
MW316.37 g/mol
LogP0.62
Rot. Bonds4

About 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide

5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide (PubChem CID 138036782) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
PubChem CID138036782
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
SMILESCOc1c(C(=O)NC2CCCN(c3ncccn3)C2)cnn1C
InChIInChI=1S/C15H20N6O2/c1-20-14(23-2)12(9-18-20)13(22)19-11-5-3-8-21(10-11)15-16-6-4-7-17-15/h4,6-7,9,11H,3,5,8,10H2,1-2H3,(H,19,22)
InChIKeyMCGPAWQDHMNKFI-UHFFFAOYSA-N
XLogP0.62
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-imidazole-2-carboxamide
CID 125178549
2-phenoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 55802649
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide
CID 70744157
2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 71939760
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
5-bromo-N-(1-pyrimidin-2-ylpiperidin-3-yl)thiophene-3-carboxamide
CID 60794005
2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55804031
2-methyl-7-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 118770104
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide (CID 138036782) is 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide is COc1c(C(=O)NC2CCCN(c3ncccn3)C2)cnn1C.
What is the InChIKey of 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
The InChIKey is MCGPAWQDHMNKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-20-14(23-2)12(9-18-20)13(22)19-11-5-3-8-21(10-11)15-16-6-4-7-17-15/h4,6-7,9,11H,3,5,8,10H2,1-2H3,(H,19,22).
What are the key properties of 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide?
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 138036782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).