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

C13H23N3 — CID 65194443

IUPACN-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cnn(C)c2)CCC1
InChIInChI=1S/C13H23N3/c1-11(2)14-10-13(5-4-6-13)7-12-8-15-16(3)9-12/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyXLXKJPHDXRSIMS-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds5

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

N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine (PubChem CID 65194443) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
PubChem CID65194443
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cnn(C)c2)CCC1
InChIInChI=1S/C13H23N3/c1-11(2)14-10-13(5-4-6-13)7-12-8-15-16(3)9-12/h8-9,11,14H,4-7,10H2,1-3H3
InChIKeyXLXKJPHDXRSIMS-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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]cyclobutyl]methyl]propan-2-amine
CID 65194328
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65195044
4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole
CID 66033317
4-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 66035579
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
4-[[1-(chloromethyl)cyclohexyl]methyl]-1-methylpyrazole
CID 66034449
N-[[1-[(3,5-dimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65195002
N-[1-[1-[(1-methylpyrazol-4-yl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106798044
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103001679

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine (CID 65194443) is N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine is CC(C)NCC1(Cc2cnn(C)c2)CCC1.
What is the InChIKey of N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine?
The InChIKey is XLXKJPHDXRSIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)14-10-13(5-4-6-13)7-12-8-15-16(3)9-12/h8-9,11,14H,4-7,10H2,1-3H3.
What are the key properties of N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine?
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 65194443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).