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

C13H22N4O — CID 43648085

IUPAC2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
SMILESCc1nn(CC(=O)N(C)C)c(C)c1CNC1CC1
InChIInChI=1S/C13H22N4O/c1-9-12(7-14-11-5-6-11)10(2)17(15-9)8-13(18)16(3)4/h11,14H,5-8H2,1-4H3
InChIKeyIZCHOXNFYJYSEB-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds5

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

2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 43648085) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID43648085
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
SMILESCc1nn(CC(=O)N(C)C)c(C)c1CNC1CC1
InChIInChI=1S/C13H22N4O/c1-9-12(7-14-11-5-6-11)10(2)17(15-9)8-13(18)16(3)4/h11,14H,5-8H2,1-4H3
InChIKeyIZCHOXNFYJYSEB-UHFFFAOYSA-N
XLogP0.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43648061
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 43648049
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-pentan-3-ylacetamide
CID 61489671
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066
N-cyclopropyl-2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethylacetamide
CID 61488987
2-[[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]-ethylamino]-N,N-dimethylacetamide
CID 61448917
4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol
CID 79355509
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43647654
N-[[3,5-dimethyl-1-(3-methylsulfonylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55162738
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 43647774

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide (CID 43648085) is 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide is Cc1nn(CC(=O)N(C)C)c(C)c1CNC1CC1.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is IZCHOXNFYJYSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-12(7-14-11-5-6-11)10(2)17(15-9)8-13(18)16(3)4/h11,14H,5-8H2,1-4H3.
What are the key properties of 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 250.35 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 43648085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).