1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

C14H24N4O2 — CID 120888817

IUPAC1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC2(COC)CCNCC2)cn1
InChIInChI=1S/C14H24N4O2/c1-3-18-9-12(8-17-18)13(19)16-10-14(11-20-2)4-6-15-7-5-14/h8-9,15H,3-7,10-11H2,1-2H3,(H,16,19)
InChIKeyCREBGNBYZNAGSF-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.65
Rot. Bonds6

About 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide

1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 120888817) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID120888817
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC2(COC)CCNCC2)cn1
InChIInChI=1S/C14H24N4O2/c1-3-18-9-12(8-17-18)13(19)16-10-14(11-20-2)4-6-15-7-5-14/h8-9,15H,3-7,10-11H2,1-2H3,(H,16,19)
InChIKeyCREBGNBYZNAGSF-UHFFFAOYSA-N
XLogP0.65
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(4-methylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 99821300
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 120888288
1-[(2-chlorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 120888529
1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 120892083
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 120887911
1-ethyl-N-[[(1R,5S)-5-(trifluoromethyl)-3-azabicyclo[3.1.0]hexan-1-yl]methyl]pyrazole-4-carboxamide
CID 138011803
5-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 120890805
3-bromo-5-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887847
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 120888817) is 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)NCC2(COC)CCNCC2)cn1.
What is the InChIKey of 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is CREBGNBYZNAGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-18-9-12(8-17-18)13(19)16-10-14(11-20-2)4-6-15-7-5-14/h8-9,15H,3-7,10-11H2,1-2H3,(H,16,19).
What are the key properties of 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 120888817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).