2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide

C15H27N5O — CID 61448917

IUPAC2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1c(CNC2CC2)c(C)nn1C
InChIInChI=1S/C15H27N5O/c1-6-20(10-14(21)18(3)4)15-13(9-16-12-7-8-12)11(2)17-19(15)5/h12,16H,6-10H2,1-5H3
InChIKeyAJIXJZSJTCSHPO-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.90
Rot. Bonds7

About 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide

2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide (PubChem CID 61448917) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide
PubChem CID61448917
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1c(CNC2CC2)c(C)nn1C
InChIInChI=1S/C15H27N5O/c1-6-20(10-14(21)18(3)4)15-13(9-16-12-7-8-12)11(2)17-19(15)5/h12,16H,6-10H2,1-5H3
InChIKeyAJIXJZSJTCSHPO-UHFFFAOYSA-N
XLogP0.90
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(cyclopropylamino)methyl]-N,N-diethyl-1,3-dimethylpyrazol-5-amine
CID 43280325
2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]acetamide
CID 43374144
2-[butyl-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]amino]ethanol
CID 61447056
N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 43280696
N-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-N,1-dimethylpiperidin-4-amine
CID 43280902
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
CID 43648085
4-[(cyclopropylamino)methyl]-N-(1-cyclopropylethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43569438
2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide
CID 43375197
4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-5-amine
CID 61442546
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43648061
4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine
CID 81056843
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-1,3-dimethylpyrazol-5-amine
CID 61452216

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide (CID 61448917) is 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1c(CNC2CC2)c(C)nn1C.
What is the InChIKey of 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide?
The InChIKey is AJIXJZSJTCSHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-6-20(10-14(21)18(3)4)15-13(9-16-12-7-8-12)11(2)17-19(15)5/h12,16H,6-10H2,1-5H3.
What are the key properties of 2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide?
2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide has a molecular weight of 293.41 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 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]-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 61448917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).