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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Related Compounds

2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide
CID 61448917
N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 43280696
4-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-dimethylpyrazol-5-amine
CID 43280325
N-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine
CID 43280902
4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine
CID 81056843
4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine
CID 61442546
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43569438
4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43527108
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-1,3-dimethylpyrazol-5-amine
CID 61452216
2-[(2-amino-2-oxoethyl)-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]amino]acetamide
CID 62922627
2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 61447056
N,N-diethyl-2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
CID 61452073

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).