N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine

C14H25N3 — CID 65194328

IUPACN-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCCn1cc(CC2(CNC(C)C)CCC2)cn1
InChIInChI=1S/C14H25N3/c1-4-17-10-13(9-16-17)8-14(6-5-7-14)11-15-12(2)3/h9-10,12,15H,4-8,11H2,1-3H3
InChIKeySSZMPILRCHPTLU-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.61
Rot. Bonds6

About N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine

N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine (PubChem CID 65194328) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
PubChem CID65194328
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCCn1cc(CC2(CNC(C)C)CCC2)cn1
InChIInChI=1S/C14H25N3/c1-4-17-10-13(9-16-17)8-14(6-5-7-14)11-15-12(2)3/h9-10,12,15H,4-8,11H2,1-3H3
InChIKeySSZMPILRCHPTLU-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194443
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65194929
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55106549
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62723772
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024888
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62724381
N-[(1-ethylcyclopentyl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 103766160
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 113359893
N-[[4-[(1-ethylpyrazol-4-yl)methyl]oxan-4-yl]methyl]-2-methylpropan-2-amine
CID 62904878
3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529282
N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65195002
1-ethyl-4-[(3-propylazetidin-3-yl)methyl]pyrazole
CID 79452458

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine (CID 65194328) is N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine is CCn1cc(CC2(CNC(C)C)CCC2)cn1.
What is the InChIKey of N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine?
The InChIKey is SSZMPILRCHPTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-17-10-13(9-16-17)8-14(6-5-7-14)11-15-12(2)3/h9-10,12,15H,4-8,11H2,1-3H3.
What are the key properties of N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine?
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine has a molecular weight of 235.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 65194328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).