N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine

C14H25N3O — CID 55110647

IUPACN-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(CCOC(C)C)c(C)c1CNC1CC1
InChIInChI=1S/C14H25N3O/c1-10(2)18-8-7-17-12(4)14(11(3)16-17)9-15-13-5-6-13/h10,13,15H,5-9H2,1-4H3
InChIKeyMHMKDKQBUAJSIU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.18
Rot. Bonds7

About N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 55110647) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID55110647
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(CCOC(C)C)c(C)c1CNC1CC1
InChIInChI=1S/C14H25N3O/c1-10(2)18-8-7-17-12(4)14(11(3)16-17)9-15-13-5-6-13/h10,13,15H,5-9H2,1-4H3
InChIKeyMHMKDKQBUAJSIU-UHFFFAOYSA-N
XLogP2.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106455227
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-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458283
4-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-2-methylbutan-2-ol
CID 79355509
4-[(cyclopropylamino)methyl]-N,1,3-trimethyl-N-(2-propan-2-yloxyethyl)pyrazol-5-amine
CID 81056843
1-[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]propan-2-amine
CID 62730951
N-[[3,5-dimethyl-1-(3-methylsulfonylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55162738
N-[[1-(2-propan-2-yloxyethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 104766007
N-[[3,5-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 107913059
N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458284
N-[[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43410533

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 55110647) is N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine is Cc1nn(CCOC(C)C)c(C)c1CNC1CC1.
What is the InChIKey of N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is MHMKDKQBUAJSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)18-8-7-17-12(4)14(11(3)16-17)9-15-13-5-6-13/h10,13,15H,5-9H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 251.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-(2-propan-2-yloxyethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55110647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).