3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane

C15H26N4 — CID 64871799

IUPAC3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane
SMILESCC1CCNC(C)(C2CC2)CN1CCn1cccn1
InChIInChI=1S/C15H26N4/c1-13-6-8-16-15(2,14-4-5-14)12-18(13)10-11-19-9-3-7-17-19/h3,7,9,13-14,16H,4-6,8,10-12H2,1-2H3
InChIKeyRGUTUECEDRVKTG-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.74
Rot. Bonds4

About 3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane

3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane (PubChem CID 64871799) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane
PubChem CID64871799
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane
SMILESCC1CCNC(C)(C2CC2)CN1CCn1cccn1
InChIInChI=1S/C15H26N4/c1-13-6-8-16-15(2,14-4-5-14)12-18(13)10-11-19-9-3-7-17-19/h3,7,9,13-14,16H,4-6,8,10-12H2,1-2H3
InChIKeyRGUTUECEDRVKTG-UHFFFAOYSA-N
XLogP1.74
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane (CID 64871799) is 3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane is CC1CCNC(C)(C2CC2)CN1CCn1cccn1.
What is the InChIKey of 3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane?
The InChIKey is RGUTUECEDRVKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-13-6-8-16-15(2,14-4-5-14)12-18(13)10-11-19-9-3-7-17-19/h3,7,9,13-14,16H,4-6,8,10-12H2,1-2H3.
What are the key properties of 3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane?
3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane has a molecular weight of 262.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3,7-dimethyl-1-(2-pyrazol-1-ylethyl)-1,4-diazepane is sourced from PubChem (CID 64871799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).