4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide

C11H19N5O2 — CID 63101976

IUPAC4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1[nH]ncc1N
InChIInChI=1S/C11H19N5O2/c1-4-5-16(7-9(17)15(2)3)11(18)10-8(12)6-13-14-10/h6H,4-5,7,12H2,1-3H3,(H,13,14)
InChIKeyKBBPQHBOQPLAAR-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.07
Rot. Bonds5

About 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide (PubChem CID 63101976) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide
PubChem CID63101976
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1[nH]ncc1N
InChIInChI=1S/C11H19N5O2/c1-4-5-16(7-9(17)15(2)3)11(18)10-8(12)6-13-14-10/h6H,4-5,7,12H2,1-3H3,(H,13,14)
InChIKeyKBBPQHBOQPLAAR-UHFFFAOYSA-N
XLogP-0.07
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide (CID 63101976) is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide is CCCN(CC(=O)N(C)C)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide?
The InChIKey is KBBPQHBOQPLAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-5-16(7-9(17)15(2)3)11(18)10-8(12)6-13-14-10/h6H,4-5,7,12H2,1-3H3,(H,13,14).
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide?
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63101976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).