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

C15H28N4 — CID 103016723

IUPAC7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(CCc2cnn(C)c2)C(C)CCN1
InChIInChI=1S/C15H28N4/c1-12(2)15-11-19(13(3)5-7-16-15)8-6-14-9-17-18(4)10-14/h9-10,12-13,15-16H,5-8,11H2,1-4H3
InChIKeyPSZVFVGJRFBRNN-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.67
Rot. Bonds4

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

7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane (PubChem CID 103016723) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane.

Molecular Properties

Compound Name7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane
PubChem CID103016723
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane
SMILESCC(C)C1CN(CCc2cnn(C)c2)C(C)CCN1
InChIInChI=1S/C15H28N4/c1-12(2)15-11-19(13(3)5-7-16-15)8-6-14-9-17-18(4)10-14/h9-10,12-13,15-16H,5-8,11H2,1-4H3
InChIKeyPSZVFVGJRFBRNN-UHFFFAOYSA-N
XLogP1.67
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane
CID 103016758
7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane
CID 64870549
3-tert-butyl-7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepane
CID 103016752
2-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016319
7-methyl-3-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64872168
2,2-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propan-2-ylpiperazine
CID 103016327
2-cyclopropyl-1-[(1-methylpyrazol-4-yl)methyl]-5-propan-2-ylpiperazine
CID 64838464
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712
3-(1-methylpyrazol-4-yl)-1-piperidin-2-ylpropan-1-ol
CID 106634544
5-(2-methylpropyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]-2-propan-2-ylpiperazine
CID 103016459
1-[2-(4-bromophenoxy)ethyl]-7-methyl-3-propan-2-yl-1,4-diazepane
CID 64870356
3-butan-2-yl-7-methyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane
CID 64869370

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane?
The IUPAC name of 7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane (CID 103016723) is 7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane.
What is the SMILES notation for 7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane?
The canonical SMILES for 7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane is CC(C)C1CN(CCc2cnn(C)c2)C(C)CCN1.
What is the InChIKey of 7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane?
The InChIKey is PSZVFVGJRFBRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-12(2)15-11-19(13(3)5-7-16-15)8-6-14-9-17-18(4)10-14/h9-10,12-13,15-16H,5-8,11H2,1-4H3.
What are the key properties of 7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane?
7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane has a molecular weight of 264.42 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepane is sourced from PubChem (CID 103016723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).