1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane

C16H24N6 — CID 133470421

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane
SMILESCCn1cc(CN2CCCN(c3cncc(C)n3)CC2)cn1
InChIInChI=1S/C16H24N6/c1-3-22-13-15(10-18-22)12-20-5-4-6-21(8-7-20)16-11-17-9-14(2)19-16/h9-11,13H,3-8,12H2,1-2H3
InChIKeyXMSDLUUKTVOIMS-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.71
Rot. Bonds4

About 1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane

1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane (PubChem CID 133470421) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane
PubChem CID133470421
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane
SMILESCCn1cc(CN2CCCN(c3cncc(C)n3)CC2)cn1
InChIInChI=1S/C16H24N6/c1-3-22-13-15(10-18-22)12-20-5-4-6-21(8-7-20)16-11-17-9-14(2)19-16/h9-11,13H,3-8,12H2,1-2H3
InChIKeyXMSDLUUKTVOIMS-UHFFFAOYSA-N
XLogP1.71
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chloroethyl)-4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepane
CID 63388085
4-ethyl-2-[6-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137251064
ethane;methanol;2-methyl-6-pyrrolidin-1-ylpyrazine
CID 169251343
3-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 55041230
3-(2-chloroethyl)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 55183859
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]ethanethioamide
CID 63336434
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[4-[(1-ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 86905577
2,4-dimethyl-6-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]pyrimidine
CID 95828152
2-(4-cyclopropylpiperazin-1-yl)-6-methylpyrazine
CID 133468968
1-[(1-ethylpyrazol-4-yl)methyl]-4-methylpiperidin-4-ol
CID 81114923
4-methyl-6-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylpyrimidine
CID 155799816
2-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methylpropanenitrile
CID 63340140

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane (CID 133470421) is 1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane is CCn1cc(CN2CCCN(c3cncc(C)n3)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane?
The InChIKey is XMSDLUUKTVOIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-3-22-13-15(10-18-22)12-20-5-4-6-21(8-7-20)16-11-17-9-14(2)19-16/h9-11,13H,3-8,12H2,1-2H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane?
1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane has a molecular weight of 300.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-4-(6-methylpyrazin-2-yl)-1,4-diazepane is sourced from PubChem (CID 133470421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).