3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide

C16H22N6O2 — CID 53167988

IUPAC3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
SMILESCOCCC(=O)Nc1cnn(-c2ncc(N3CCCCC3)cn2)c1
InChIInChI=1S/C16H22N6O2/c1-24-8-5-15(23)20-13-9-19-22(12-13)16-17-10-14(11-18-16)21-6-3-2-4-7-21/h9-12H,2-8H2,1H3,(H,20,23)
InChIKeyAHSCXIPCYBROAV-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.63
Rot. Bonds6

About 3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide

3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide (PubChem CID 53167988) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
PubChem CID53167988
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
SMILESCOCCC(=O)Nc1cnn(-c2ncc(N3CCCCC3)cn2)c1
InChIInChI=1S/C16H22N6O2/c1-24-8-5-15(23)20-13-9-19-22(12-13)16-17-10-14(11-18-16)21-6-3-2-4-7-21/h9-12H,2-8H2,1H3,(H,20,23)
InChIKeyAHSCXIPCYBROAV-UHFFFAOYSA-N
XLogP1.63
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-methoxyphenyl)-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
CID 53168015
2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53167952
N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 53167977
5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 53168005
2-chloro-5-methylsulfanyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzamide
CID 53167948
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 53168034
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide
CID 53168050
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 53168052
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 53168039
2-ethyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzenesulfonamide
CID 53168095

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide (CID 53167988) is 3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide is COCCC(=O)Nc1cnn(-c2ncc(N3CCCCC3)cn2)c1.
What is the InChIKey of 3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide?
The InChIKey is AHSCXIPCYBROAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-24-8-5-15(23)20-13-9-19-22(12-13)16-17-10-14(11-18-16)21-6-3-2-4-7-21/h9-12H,2-8H2,1H3,(H,20,23).
What are the key properties of 3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide?
3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide has a molecular weight of 330.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 53167988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).