(1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine

C11H19N3 — CID 130775622

IUPAC(1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine
SMILESCC[C@@H]1C[C@H]1C(N)c1c(C)cnn1C
InChIInChI=1S/C11H19N3/c1-4-8-5-9(8)10(12)11-7(2)6-13-14(11)3/h6,8-10H,4-5,12H2,1-3H3/t8-,9-,10?/m1/s1
InChIKeyKWLSVUOVRIEHFR-MGRQHWMJSA-N
MW193.29 g/mol
LogP1.77
Rot. Bonds3

About (1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine

(1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine (PubChem CID 130775622) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine.

Molecular Properties

Compound Name(1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine
PubChem CID130775622
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine
SMILESCC[C@@H]1C[C@H]1C(N)c1c(C)cnn1C
InChIInChI=1S/C11H19N3/c1-4-8-5-9(8)10(12)11-7(2)6-13-14(11)3/h6,8-10H,4-5,12H2,1-3H3/t8-,9-,10?/m1/s1
InChIKeyKWLSVUOVRIEHFR-MGRQHWMJSA-N
XLogP1.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine?
The IUPAC name of (1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine (CID 130775622) is (1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine.
What is the SMILES notation for (1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine?
The canonical SMILES for (1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine is CC[C@@H]1C[C@H]1C(N)c1c(C)cnn1C.
What is the InChIKey of (1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine?
The InChIKey is KWLSVUOVRIEHFR-MGRQHWMJSA-N. The full InChI is InChI=1S/C11H19N3/c1-4-8-5-9(8)10(12)11-7(2)6-13-14(11)3/h6,8-10H,4-5,12H2,1-3H3/t8-,9-,10?/m1/s1.
What are the key properties of (1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine?
(1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine has a molecular weight of 193.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpyrazol-5-yl)-[(1R,2R)-2-ethylcyclopropyl]methanamine is sourced from PubChem (CID 130775622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).