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

C14H26N6O — CID 66123485

IUPAC4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C14H26N6O/c1-4-20-13(12(15)11(2)17-20)14(21)16-5-6-19-9-7-18(3)8-10-19/h4-10,15H2,1-3H3,(H,16,21)
InChIKeyCWYBLKBWHQIANL-UHFFFAOYSA-N
MW294.40 g/mol
LogP-0.23
Rot. Bonds5

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

4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 66123485) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide
PubChem CID66123485
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C14H26N6O/c1-4-20-13(12(15)11(2)17-20)14(21)16-5-6-19-9-7-18(3)8-10-19/h4-10,15H2,1-3H3,(H,16,21)
InChIKeyCWYBLKBWHQIANL-UHFFFAOYSA-N
XLogP-0.23
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]-3-methylpyrazole-5-carboxamide
CID 66125449
4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide
CID 66124652
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 66125786
4-amino-1-ethyl-N-(4-methoxybutyl)-3-methylpyrazole-5-carboxamide
CID 66123504
4-amino-1-ethyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-methylpyrazole-5-carboxamide
CID 106308564
4-amino-1-ethyl-3-methyl-N-(3-methylsulfanylbutyl)pyrazole-5-carboxamide
CID 113493841
4-amino-1-ethyl-3-methyl-N-(3-propoxypropyl)pyrazole-5-carboxamide
CID 82950007
4-amino-1-ethyl-3-methyl-N-(2-prop-2-ynylsulfanylethyl)pyrazole-5-carboxamide
CID 114187167
4-amino-N-cyclobutyl-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66124672
4-amino-1-ethyl-3-methyl-N-(2-piperidin-1-ylpropyl)pyrazole-5-carboxamide
CID 66125626
4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66125408
4-amino-1-ethyl-3-methyl-N-(thiolan-2-ylmethyl)pyrazole-5-carboxamide
CID 80585058

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide (CID 66123485) is 4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)NCCN1CCN(C)CC1.
What is the InChIKey of 4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is CWYBLKBWHQIANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-4-20-13(12(15)11(2)17-20)14(21)16-5-6-19-9-7-18(3)8-10-19/h4-10,15H2,1-3H3,(H,16,21).
What are the key properties of 4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 294.40 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 66123485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).