2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide

C12H21N5O — CID 43374144

IUPAC2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
SMILESCc1nn(C)c(N(C)CC(N)=O)c1CNC1CC1
InChIInChI=1S/C12H21N5O/c1-8-10(6-14-9-4-5-9)12(17(3)15-8)16(2)7-11(13)18/h9,14H,4-7H2,1-3H3,(H2,13,18)
InChIKeyQHCGYCNIPZOKHE-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.10
Rot. Bonds6

About 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide

2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide (PubChem CID 43374144) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
PubChem CID43374144
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
SMILESCc1nn(C)c(N(C)CC(N)=O)c1CNC1CC1
InChIInChI=1S/C12H21N5O/c1-8-10(6-14-9-4-5-9)12(17(3)15-8)16(2)7-11(13)18/h9,14H,4-7H2,1-3H3,(H2,13,18)
InChIKeyQHCGYCNIPZOKHE-UHFFFAOYSA-N
XLogP-0.10
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide?
The IUPAC name of 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide (CID 43374144) is 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide.
What is the SMILES notation for 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide is Cc1nn(C)c(N(C)CC(N)=O)c1CNC1CC1.
What is the InChIKey of 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide?
The InChIKey is QHCGYCNIPZOKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-10(6-14-9-4-5-9)12(17(3)15-8)16(2)7-11(13)18/h9,14H,4-7H2,1-3H3,(H2,13,18).
What are the key properties of 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide?
2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide has a molecular weight of 251.33 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide is sourced from PubChem (CID 43374144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).