N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine

C11H19N3 — CID 165443973

IUPACN-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccnn1C1CCC1
InChIInChI=1S/C11H19N3/c1-9(2)12-8-11-6-7-13-14(11)10-4-3-5-10/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyYECCSHWNLHZOBB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds4

About N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine

N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine (PubChem CID 165443973) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine
PubChem CID165443973
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccnn1C1CCC1
InChIInChI=1S/C11H19N3/c1-9(2)12-8-11-6-7-13-14(11)10-4-3-5-10/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyYECCSHWNLHZOBB-UHFFFAOYSA-N
XLogP2.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626139
5-(chloromethyl)-1-cyclohexylpyrazole
CID 138987728
2-cyclopentyl-N-propan-2-ylpyrazol-3-amine
CID 130683846
2-(2-cyclobutylpyrazol-3-yl)propan-1-amine
CID 83875236
N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline
CID 19626149
1-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-N-methylmethanamine
CID 105486942
N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 66440539
2-(2-cyclohexylpyrazol-3-yl)acetonitrile
CID 105443852
N-methyl-1-[2-(thietan-3-yl)pyrazol-3-yl]methanamine
CID 105440791
N-methyl-1-[2-(thiolan-3-yl)pyrazol-3-yl]methanamine
CID 105451026
2-(2-cyclopentylpyrazol-3-yl)propan-1-amine
CID 83878565
(1R)-1-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 104939445

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine (CID 165443973) is N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine is CC(C)NCc1ccnn1C1CCC1.
What is the InChIKey of N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine?
The InChIKey is YECCSHWNLHZOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(2)12-8-11-6-7-13-14(11)10-4-3-5-10/h6-7,9-10,12H,3-5,8H2,1-2H3.
What are the key properties of N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine?
N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine has a molecular weight of 193.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 165443973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).