3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane

C15H26N4 — CID 103016758

IUPAC3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane
SMILESCC1CCNC(C2CC2)CN1CCc1cnn(C)c1
InChIInChI=1S/C15H26N4/c1-12-5-7-16-15(14-3-4-14)11-19(12)8-6-13-9-17-18(2)10-13/h9-10,12,14-16H,3-8,11H2,1-2H3
InChIKeyXYMJSAZYPCUSCA-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.42
Rot. Bonds4

About 3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane

3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane (PubChem CID 103016758) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane
PubChem CID103016758
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane
SMILESCC1CCNC(C2CC2)CN1CCc1cnn(C)c1
InChIInChI=1S/C15H26N4/c1-12-5-7-16-15(14-3-4-14)11-19(12)8-6-13-9-17-18(2)10-13/h9-10,12,14-16H,3-8,11H2,1-2H3
InChIKeyXYMJSAZYPCUSCA-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-tert-butyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane
CID 103016752
7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane
CID 103016723
3-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-7-methyl-1,4-diazepane
CID 65442279
7-methyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64872168
3-cyclopropyl-7-methyl-1-[2-(3-methylbutoxy)ethyl]-1,4-diazepane
CID 64871414
2-cyclopropyl-5,5-diethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]piperazine
CID 103016627
1-(cyclopentylmethyl)-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64870248
3-cyclopropyl-7-methyl-1-[(3-methylphenyl)methyl]-1,4-diazepane
CID 64870444
5-cyclopropyl-2-ethyl-2-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64862073
1-[(3-chlorophenyl)methyl]-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64870253
1-[(2-bromophenyl)methyl]-3-cyclopropyl-7-methyl-1,4-diazepane
CID 64871020
2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016319

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane (CID 103016758) is 3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane is CC1CCNC(C2CC2)CN1CCc1cnn(C)c1.
What is the InChIKey of 3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane?
The InChIKey is XYMJSAZYPCUSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12-5-7-16-15(14-3-4-14)11-19(12)8-6-13-9-17-18(2)10-13/h9-10,12,14-16H,3-8,11H2,1-2H3.
What are the key properties of 3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane?
3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane has a molecular weight of 262.40 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane is sourced from PubChem (CID 103016758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).