5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide

C13H23N5O — CID 115330664

IUPAC5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCCN1CCC(CNC(=O)c2cnn(C)c2N)CC1
InChIInChI=1S/C13H23N5O/c1-3-18-6-4-10(5-7-18)8-15-13(19)11-9-16-17(2)12(11)14/h9-10H,3-8,14H2,1-2H3,(H,15,19)
InChIKeyLRUXNZDJTLPYJV-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.46
Rot. Bonds4

About 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide

5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 115330664) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID115330664
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCCN1CCC(CNC(=O)c2cnn(C)c2N)CC1
InChIInChI=1S/C13H23N5O/c1-3-18-6-4-10(5-7-18)8-15-13(19)11-9-16-17(2)12(11)14/h9-10H,3-8,14H2,1-2H3,(H,15,19)
InChIKeyLRUXNZDJTLPYJV-UHFFFAOYSA-N
XLogP0.46
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrazole-4-carboxamide
CID 115330698
5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631025
6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 62162133
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide
CID 107075001
5-amino-N-(3-cyclopentylpropyl)-1-methylpyrazole-4-carboxamide
CID 113355612
5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 115330542
6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 62240688
5-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-4-carboxamide
CID 113288604
5-amino-N-[(1-ethylcyclopropyl)methyl]-1-methylpyrazole-4-carboxamide
CID 103940231
5-amino-N-(2,2-dimethoxyethyl)-1-methylpyrazole-4-carboxamide
CID 110485264
5-amino-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 82547322
N-[(4-bromocyclohexyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114148088

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide (CID 115330664) is 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide is CCN1CCC(CNC(=O)c2cnn(C)c2N)CC1.
What is the InChIKey of 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is LRUXNZDJTLPYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-18-6-4-10(5-7-18)8-15-13(19)11-9-16-17(2)12(11)14/h9-10H,3-8,14H2,1-2H3,(H,15,19).
What are the key properties of 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide?
5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 115330664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).