4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide

C13H23N5O2 — CID 114398905

IUPAC4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCC2CN(CC)CCO2)c1N
InChIInChI=1S/C13H23N5O2/c1-3-10-11(14)12(17-16-10)13(19)15-7-9-8-18(4-2)5-6-20-9/h9H,3-8,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyJSJVDRIINAPDSX-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.00
Rot. Bonds5

About 4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 114398905) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID114398905
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCC2CN(CC)CCO2)c1N
InChIInChI=1S/C13H23N5O2/c1-3-10-11(14)12(17-16-10)13(19)15-7-9-8-18(4-2)5-6-20-9/h9H,3-8,14H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyJSJVDRIINAPDSX-UHFFFAOYSA-N
XLogP0.00
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 114399014
N-[(4-ethylmorpholin-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 115631010
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 114400020
4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081121
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
CID 114398978
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2-methylmorpholin-4-yl)methanone
CID 55033901
N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxyacetamide
CID 115629823
3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114398949
4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
CID 115629840
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methoxybenzamide
CID 114399024
4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114398981
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-3-sulfanylidenepropanamide
CID 114400114

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide (CID 114398905) is 4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCC2CN(CC)CCO2)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is JSJVDRIINAPDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-10-11(14)12(17-16-10)13(19)15-7-9-8-18(4-2)5-6-20-9/h9H,3-8,14H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of 4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 114398905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).