4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide

C12H21N5O2 — CID 62082662

IUPAC4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C12H21N5O2/c1-5-6-17(7-9(18)16(3)4)12(19)11-10(13)8(2)14-15-11/h5-7,13H2,1-4H3,(H,14,15)
InChIKeyAKBSPOJILSHNHH-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.24
Rot. Bonds5

About 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62082662) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
PubChem CID62082662
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1n[nH]c(C)c1N
InChIInChI=1S/C12H21N5O2/c1-5-6-17(7-9(18)16(3)4)12(19)11-10(13)8(2)14-15-11/h5-7,13H2,1-4H3,(H,14,15)
InChIKeyAKBSPOJILSHNHH-UHFFFAOYSA-N
XLogP0.24
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.24
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]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide (CID 62082662) is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide is CCCN(CC(=O)N(C)C)C(=O)c1n[nH]c(C)c1N.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is AKBSPOJILSHNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-6-17(7-9(18)16(3)4)12(19)11-10(13)8(2)14-15-11/h5-7,13H2,1-4H3,(H,14,15).
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.24, 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]-5-methyl-N-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).