3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine

C12H21N3 — CID 115767982

IUPAC3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCc1c(CNCCCC2CC2)cnn1C
InChIInChI=1S/C12H21N3/c1-10-12(9-14-15(10)2)8-13-7-3-4-11-5-6-11/h9,11,13H,3-8H2,1-2H3
InChIKeyBJTUNFVJQBNXJR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.01
Rot. Bonds6

About 3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine

3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 115767982) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID115767982
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
SMILESCc1c(CNCCCC2CC2)cnn1C
InChIInChI=1S/C12H21N3/c1-10-12(9-14-15(10)2)8-13-7-3-4-11-5-6-11/h9,11,13H,3-8H2,1-2H3
InChIKeyBJTUNFVJQBNXJR-UHFFFAOYSA-N
XLogP2.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butylsulfanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115767802
6-[(1,5-dimethylpyrazol-4-yl)methylamino]hexan-3-ol
CID 115768038
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103851304
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79578880
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine
CID 103851543
1-(4-cyclopropylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103528046
3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 103622795
3-cyclopentyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]propan-1-amine
CID 106010455
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-morpholin-4-ylethanamine
CID 79578789
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 114138993
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
CID 79579132
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 79579340

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine (CID 115767982) is 3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine is Cc1c(CNCCCC2CC2)cnn1C.
What is the InChIKey of 3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is BJTUNFVJQBNXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-12(9-14-15(10)2)8-13-7-3-4-11-5-6-11/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine?
3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 115767982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).