4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide

C14H27N5O — CID 102990922

IUPAC4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)c1c(N)cnn1C
InChIInChI=1S/C14H27N5O/c1-5-18(6-2)9-8-10-19(7-3)14(20)13-12(15)11-16-17(13)4/h11H,5-10,15H2,1-4H3
InChIKeyJDOGOIBBPYXVEY-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.20
Rot. Bonds8

About 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide

4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 102990922) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID102990922
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCN(CC)CCCN(CC)C(=O)c1c(N)cnn1C
InChIInChI=1S/C14H27N5O/c1-5-18(6-2)9-8-10-19(7-3)14(20)13-12(15)11-16-17(13)4/h11H,5-10,15H2,1-4H3
InChIKeyJDOGOIBBPYXVEY-UHFFFAOYSA-N
XLogP1.20
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide (CID 102990922) is 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide is CCN(CC)CCCN(CC)C(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is JDOGOIBBPYXVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-5-18(6-2)9-8-10-19(7-3)14(20)13-12(15)11-16-17(13)4/h11H,5-10,15H2,1-4H3.
What are the key properties of 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 102990922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).