1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide

C17H24N6O2 — CID 131927398

IUPAC1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC2CCCN(c3nccc(OC)n3)C2)cn1
InChIInChI=1S/C17H24N6O2/c1-3-23-12-14(10-20-23)16(24)19-9-13-5-4-8-22(11-13)17-18-7-6-15(21-17)25-2/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H,19,24)
InChIKeyGUBSFOQJVVIXGL-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.35
Rot. Bonds6

About 1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide

1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 131927398) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID131927398
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC2CCCN(c3nccc(OC)n3)C2)cn1
InChIInChI=1S/C17H24N6O2/c1-3-23-12-14(10-20-23)16(24)19-9-13-5-4-8-22(11-13)17-18-7-6-15(21-17)25-2/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H,19,24)
InChIKeyGUBSFOQJVVIXGL-UHFFFAOYSA-N
XLogP1.35
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

methyl 2-[4-[(6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carbonyl)amino]piperidin-1-yl]pyrimidine-5-carboxylate
CID 168280091
1-[4-(4-Methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 56798175
N-{1-[3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl]piperidin-4-yl}-6-methoxypyrimidin-4-amine
CID 171328825
3-methoxy-1-methyl-N-{[1-(pyrimidin-2-yl)piperidin-4-yl]methyl}-1H-pyrazole-4-carboxamide
CID 49687724
4-(4-methoxypyrimidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 56826141
3-methoxy-1-methyl-N-{[1-(pyrazin-2-yl)piperidin-4-yl]methyl}-1H-pyrazole-4-carboxamide
CID 71786558
1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)-N-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 71795756
N-(4-ethylcyclohexyl)-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063155
N-cyclohexyl-5-methoxypyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063316
N-(Adamantan-1-ylmethyl)-3-methoxy-1-pyrimidin-2-yl-1H-pyrazole-4-carboxamide
CID 59579999
N-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-[(1E)-1-(methylideneamino)buta-1,3-dien-2-yl]pyrazole-4-carboxamide
CID 144169559
3-Methoxy-1-pyrimidin-2-ylpyrazole-4-carboxamide
CID 176235724

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide (CID 131927398) is 1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NCC2CCCN(c3nccc(OC)n3)C2)cn1.
What is the InChIKey of 1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is GUBSFOQJVVIXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-23-12-14(10-20-23)16(24)19-9-13-5-4-8-22(11-13)17-18-7-6-15(21-17)25-2/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3,(H,19,24).
What are the key properties of 1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 131927398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).