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

C12H21N5O2 — CID 106913881

IUPAC4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(C)CC(C)C(=O)NC)c1N
InChIInChI=1S/C12H21N5O2/c1-5-8-9(13)10(16-15-8)12(19)17(4)6-7(2)11(18)14-3/h7H,5-6,13H2,1-4H3,(H,14,18)(H,15,16)
InChIKeyNUVCQWAKOGTOAE-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.01
Rot. Bonds5

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

4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide (PubChem CID 106913881) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
PubChem CID106913881
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N(C)CC(C)C(=O)NC)c1N
InChIInChI=1S/C12H21N5O2/c1-5-8-9(13)10(16-15-8)12(19)17(4)6-7(2)11(18)14-3/h7H,5-6,13H2,1-4H3,(H,14,18)(H,15,16)
InChIKeyNUVCQWAKOGTOAE-UHFFFAOYSA-N
XLogP0.01
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide (CID 106913881) is 4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N(C)CC(C)C(=O)NC)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide?
The InChIKey is NUVCQWAKOGTOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-8-9(13)10(16-15-8)12(19)17(4)6-7(2)11(18)14-3/h7H,5-6,13H2,1-4H3,(H,14,18)(H,15,16).
What are the key properties of 4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106913881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).