1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine

C15H27N3O — CID 116722727

IUPAC1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(C)nn1C)C(OC)C1CC1
InChIInChI=1S/C15H27N3O/c1-5-8-16-14(15(19-4)12-6-7-12)10-13-9-11(2)17-18(13)3/h9,12,14-16H,5-8,10H2,1-4H3
InChIKeyQYKCTTIVDQFBBA-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.06
Rot. Bonds8

About 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine

1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine (PubChem CID 116722727) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine
PubChem CID116722727
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine
SMILESCCCNC(Cc1cc(C)nn1C)C(OC)C1CC1
InChIInChI=1S/C15H27N3O/c1-5-8-16-14(15(19-4)12-6-7-12)10-13-9-11(2)17-18(13)3/h9,12,14-16H,5-8,10H2,1-4H3
InChIKeyQYKCTTIVDQFBBA-UHFFFAOYSA-N
XLogP2.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine (CID 116722727) is 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine is CCCNC(Cc1cc(C)nn1C)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine?
The InChIKey is QYKCTTIVDQFBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-8-16-14(15(19-4)12-6-7-12)10-13-9-11(2)17-18(13)3/h9,12,14-16H,5-8,10H2,1-4H3.
What are the key properties of 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine?
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)-1-methoxy-N-propylpropan-2-amine is sourced from PubChem (CID 116722727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).